⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL398149 | 0.79 | — | — | |
| SCHEMBL2787642 | 0.79 | — | — | |
| SCHEMBL11221727 | 0.75 | NOS3 (0.38) | — | |
| SCHEMBL1547627 | 0.75 | — | — | |
| SCHEMBL6667302 | 0.73 | — | — | |
| SCHEMBL3549252 | 0.69 | — | — | |
| SCHEMBL6403238 | 0.69 | — | — | |
| SCHEMBL10002653 | 0.69 | NOS3 (0.33) | — | |
| SCHEMBL6403695 | 0.68 | EPHX1 (0.45) | — | |
| SCHEMBL10002689 | 0.65 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 61 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11730720-B2 | ALK5 inhibitors | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2023-08-22 | — | — | US | claimed |
| EP-3710439-B1 | KRAS G12C INHIBITORS | MIRATI THERAPEUTICS INC (US) | 2023-02-15 | — | — | EP | claimed |
| CN-114929345-A | Substituted pyrazole compounds as TOLL receptor inhibitors | 百时美施贵宝公司 | 2022-08-19 | — | — | CN | claimed |
| EP-3908283-A1 | KRAS G12C INHIBITORS | Mirati Therapeutics, Inc. (US) | 2021-11-17 | — | — | EP | claimed |
| EP-3894401-A2 | NAPHTHYRIDINE AND QUINOLINE DERIVATIVES USEFUL AS ALK5 INHIBITORS | Theravance Biopharma R&D IP, LLC (US) | 2021-10-20 | — | — | EP | claimed |
| CN-113195467-A | Naphthyridine and quinoline derivatives useful as ALK5 inhibitors | 施万生物制药研发IP有限责任公司 | 2021-07-30 | — | — | CN | claimed |
| US-20210154178-A1 | ALK5 INHIBITORS | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2021-05-27 | — | — | US | claimed |
| US-10952996-B2 | ALK5 inhibitors | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2021-03-23 | — | — | US | claimed |
| EP-3710439-A1 | KRAS G12C INHIBITORS | Mirati Therapeutics, Inc. (US) | 2020-09-23 | — | — | EP | claimed |
| WO-2020146613-A1 | KRAS G12C INHIBITORS | Mirati Therapeutics, Inc. (US) | 2020-07-16 | — | — | WO | claimed |
| WO-2020123453-A2 | ALK5 INHIBITORS | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2020-06-18 | — | — | WO | claimed |
| US-20200188370-A1 | ALK5 INHIBITORS | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2020-06-18 | — | — | US | claimed |
| CN-101910168-B | Tropane compounds | EXELIXIS INC | 2014-07-30 | — | — | CN | claimed |
| US-8012956-B2 | Tropane compounds | EXELIXIS, INC. (US) | 2011-09-06 | — | — | US | claimed |
| CN-101910168-A | Tropane compounds | EXELIXIS INC | 2010-12-08 | — | — | CN | claimed |
| EP-2074120-B1 | TROPANE COMPOUNDS | EXELIXIS INC (US) | 2010-03-03 | — | — | EP | claimed |
| EP-2074120-A1 | TROPANE COMPOUNDS | Exelixis, Inc. (US) | 2009-07-01 | — | — | EP | claimed |
| US-20090163471-A1 | Tropane compounds | EXELIXIS, INC. | 2009-06-25 | — | — | US | claimed |
| WO-2009055077-A1 | TROPANE COMPOUNDS | EXELIXIS, INC. (US) | 2009-04-30 | — | — | WO | claimed |
| CN-111989321-B | KRAS G12C inhibitors | 米拉蒂治疗股份有限公司 | 2024-05-14 | — | — | CN | disclosed |
| US-20240101553-A1 | KRAS G12C INHIBITORS | MIRATI THERAPEUTICS INC (US) | 2024-03-28 | — | — | US | disclosed |
| US-20230373999-A1 | KRAS G12C INHIBITORS | MIRATI THERAPEUTICS INC (US) | 2023-11-23 | — | — | US | disclosed |
| EP-3475272-B1 | PHTHALAZINE DERIVATIVES AS INHIBITORS OF PARP1, PARP2 AND/OR TUBULIN USEFUL FOR THE TREATMENT OF CANCER | UNIV CALIFORNIA (US) | 2023-09-13 | — | — | EP | disclosed |
| US-11730720-B2 | ALK5 inhibitors | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2023-08-22 | — | — | US | disclosed |
| EP-3710439-B1 | KRAS G12C INHIBITORS | MIRATI THERAPEUTICS INC (US) | 2023-02-15 | — | — | EP | disclosed |
| US-11548888-B2 | KRas G12C inhibitors | Mirati Therapeutics, Inc. (US) | 2023-01-10 | — | — | US | disclosed |
| US-20220402894-A1 | Phthalazine Derivatives as Inhibitors of PARP1, PARP2, and/or Tubulin Useful for the Treatment of Cancer | ATLASMEDX, INC. | 2022-12-22 | — | — | US | disclosed |
| CN-114929345-A | Substituted pyrazole compounds as TOLL receptor inhibitors | 百时美施贵宝公司 | 2022-08-19 | — | — | CN | disclosed |
| CN-109843874-B | Phthalazine derivatives useful as inhibitors of PARP1, PARP2 and/or tubulin for the treatment of cancer | 加利福尼亚大学董事会 | 2022-05-27 | — | — | CN | disclosed |
| EP-3908283-A1 | KRAS G12C INHIBITORS | Mirati Therapeutics, Inc. (US) | 2021-11-17 | — | — | EP | disclosed |
| EP-3894401-A2 | NAPHTHYRIDINE AND QUINOLINE DERIVATIVES USEFUL AS ALK5 INHIBITORS | Theravance Biopharma R&D IP, LLC (US) | 2021-10-20 | — | — | EP | disclosed |
| CN-113195467-A | Naphthyridine and quinoline derivatives useful as ALK5 inhibitors | 施万生物制药研发IP有限责任公司 | 2021-07-30 | — | — | CN | disclosed |
| US-11072600-B2 | Phthalazine derivatives as inhibitors of PARP1, PARP2, and/or tubulin useful for the treatment of cancer | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2021-07-27 | — | — | US | disclosed |
| US-20210154178-A1 | ALK5 INHIBITORS | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2021-05-27 | — | — | US | disclosed |
| US-10952996-B2 | ALK5 inhibitors | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2021-03-23 | — | — | US | disclosed |
| US-20200331911-A1 | KRAS G12C INHIBITORS | Mirati Therapeutics, Inc. | 2020-10-22 | — | — | US | disclosed |
| EP-3710439-A1 | KRAS G12C INHIBITORS | Mirati Therapeutics, Inc. (US) | 2020-09-23 | — | — | EP | disclosed |
| US-20200262837-A1 | KRAS G12C INHIBITORS | ARRAY BIOPHARMA INC. | 2020-08-20 | — | — | US | disclosed |
| WO-2020146613-A1 | KRAS G12C INHIBITORS | Mirati Therapeutics, Inc. (US) | 2020-07-16 | — | — | WO | disclosed |
| US-10689377-B2 | KRas G12C inhibitors | Mirati Therapeutics, Inc. (US) | 2020-06-23 | — | — | US | disclosed |
| WO-2020123453-A2 | ALK5 INHIBITORS | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2020-06-18 | — | — | WO | disclosed |
| US-20200188370-A1 | ALK5 INHIBITORS | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2020-06-18 | — | — | US | disclosed |
| US-10640493-B2 | Phthalazine derivatives as inhibitors of PARP1, PARP2, and/or tubulin useful for the treatment of cancer | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2020-05-05 | — | — | US | disclosed |
| US-20200131669-A1 | CYCLIC PEPTIDE COMPOUND HAVING HIGH MEMBRANE PERMEABILITY, AND LIBRARY CONTAINING SAME | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2020-04-30 | — | — | US | disclosed |
| EP-3636807-A1 | CYCLIC PEPTIDE COMPOUND HAVING HIGH MEMBRANE PERMEABILITY, AND LIBRARY CONTAINING SAME | Chugai Seiyaku Kabushiki Kaisha (JP) | 2020-04-15 | — | — | EP | disclosed |
| CN-110869544-A | Cyclic peptide compound having high membrane permeability and library containing same | 中外制药株式会社 | 2020-03-06 | — | — | CN | disclosed |
| US-20190352283-A1 | Phthalazine Derivatives as Inhibitors of PARP1, PARP2, and/or Tubulin Useful for the Treatment of Cancer | ATLASMEDX, INC. | 2019-11-21 | — | — | US | disclosed |
| US-20190337928-A1 | Phthalazine Derivatives as Inhibitors of PARP1, PARP2, and/or Tubulin Useful for the Treatment of Cancer | ATLASMEDX, INC. | 2019-11-07 | — | — | US | disclosed |
| US-20190144444-A1 | KRAS G12C INHIBITORS | Mirati Therapeutics, Inc. | 2019-05-16 | — | — | US | disclosed |
| EP-3475272-A1 | PHTHALAZINE DERIVATIVES AS INHIBITORS OF PARP1, PARP2 AND/OR TUBULIN USEFUL FOR THE TREATMENT OF CANCER | The Regents of The University of California (US) | 2019-05-01 | — | — | EP | disclosed |
| WO-2017223516-A1 | PHTHALAZINE DERIVATIVES AS INHIBITORS OF PARP1, PARP2 AND/OR TUBULIN USEFUL FOR THE TREATMENT OF CANCER | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2017-12-28 | — | — | WO | disclosed |
| CN-101910168-B | Tropane compounds | EXELIXIS INC | 2014-07-30 | — | — | CN | disclosed |
| US-8012956-B2 | Tropane compounds | EXELIXIS, INC. (US) | 2011-09-06 | — | — | US | disclosed |
| CN-101910168-A | Tropane compounds | EXELIXIS INC | 2010-12-08 | — | — | CN | disclosed |
| US-7795256-B2 | Thieno-pyridinone derivatives as kinase inhibitors | UCB PHARMA S.A. (BE) | 2010-09-14 | — | — | US | disclosed |
| EP-2074120-B1 | TROPANE COMPOUNDS | EXELIXIS INC (US) | 2010-03-03 | — | — | EP | disclosed |
| EP-2074120-A1 | TROPANE COMPOUNDS | Exelixis, Inc. (US) | 2009-07-01 | — | — | EP | disclosed |
| US-20090163471-A1 | Tropane compounds | EXELIXIS, INC. | 2009-06-25 | — | — | US | disclosed |
| WO-2009055077-A1 | TROPANE COMPOUNDS | EXELIXIS, INC. (US) | 2009-04-30 | — | — | WO | disclosed |
| US-20070078131-A1 | Thieno-pyridinone derivatives as kinase inhibitors | CELLTECH R&D LIMITED (GB) | 2007-04-05 | — | — | US | disclosed |
| EP-0437508-A4 | NON-PEPTIDE RENIN INHIBITORS | — | 1991-11-06 | — | — | EP | disclosed |
| EP-0437508-A4 | NON-PEPTIDE RENIN INHIBITORS | — | 1991-11-06 | — | — | EP | disclosed |