SCHEMBL16914521

SCHEMBL16914521

CC(C)(C)[S+]([O-])N[C@@H]1CCCC12CCNCC2

nearest known ligand 0.00

⚠ 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL30787780 1.00 — —
SCHEMBL30197649 1.00 — —
SCHEMBL29715655 1.00 — —
SCHEMBL20399759 1.00 — —
SCHEMBL22799094 1.00 — —
SCHEMBL21287261 1.00 — —
SCHEMBL22595059 1.00 — —
SCHEMBL22055455 1.00 — —
SCHEMBL22584620 1.00 — —
SCHEMBL29959413 1.00 — —

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 80 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3571199-B1 BICYCLIC COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS REVOLUTION MEDICINES INC (US) 2026-04-22 — — EP disclosed
US-20260103469-A1 BICYCLIC COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS REVOLUTION MEDICINES INC (US) 2026-04-16 — — US disclosed
US-12565476-B2 2,5-disubstituted 3-methyl pyrazines and 2,5,6-trisubstituted 3-methyl pyrazines as allosteric SHP2 inhibitors Revolution Medicines, Inc. (US) 2026-03-03 — — US disclosed
US-12365688-B2 Substituted pyrazolopyrazines, imidazopyrazines and [1,2,4]triazolopyrazines as allosteric SHP2 inhibitors Revolution Medicines, Inc. (US) 2025-07-22 — — US disclosed
CN-112513050-B Heterocyclic compounds which inhibit SHP2 activity 大鹏药品工业株式会社 2024-12-20 — — CN disclosed
CN-112625028-B Compounds and compositions for inhibiting SHP2 activity 诺华股份有限公司 2024-10-29 — — CN disclosed
US-12037345-B2 Heterobicyclic compounds for inhibiting the activity of SHP2 TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-16 — — US disclosed
US-12037345-B2 Heterobicyclic compounds for inhibiting the activity of SHP2 TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-16 — — US disclosed
US-12037345-B2 Heterobicyclic compounds for inhibiting the activity of SHP2 TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-16 — — US disclosed
US-12029739-B2 SHP2 inhibitor and use thereof KANAPH THERAPEUTICS INC. (KR) 2024-07-09 — — US disclosed
EP-3484856-A1 2,5-DISUBSTITUTED 3-METHYL PYRAZINES AND 2,5,6-TRISUBSTITUTED 3-METHYL PYRAZINES AS ALLOSTERIC SHP2 INHIBITORS Revolution Medicines, Inc. (US) 2019-05-22 — — EP disclosed
US-10287266-B2 Compounds and compositions for inhibiting the activity of SHP2 NOVARTIS AG (CH) 2019-05-14 — — US disclosed
US-10287266-B2 Compounds and compositions for inhibiting the activity of SHP2 NOVARTIS AG (CH) 2019-05-14 — — US disclosed
WO-2018136265-A1 BICYCLIC COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS Revolution Medicines, Inc. (US) 2018-07-26 — — WO disclosed
WO-2018136264-A1 PYRIDINE COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS Revolution Medicines, Inc. (US) 2018-07-26 — — WO disclosed
US-20180186770-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2018-07-05 — — US disclosed
US-20180186770-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2018-07-05 — — US disclosed
WO-2018013597-A1 2,5-DISUBSTITUTED 3-METHYL PYRAZINES AND 2,5,6-TRISUBSTITUTED 3-METHYL PYRAZINES AS ALLOSTERIC SHP2 INHIBITORS Revolution Medicines, Inc. (US) 2018-01-18 — — WO disclosed
EP-3094628-A1 N-AZASPIROCYCLOALKANE SUBSTITUTED N-HETEROARYL COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 Novartis AG (CH) 2016-11-23 — — EP disclosed
WO-2015107495-A1 N-AZASPIROCYCLOALKANE SUBSTITUTED N-HETEROARYL COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS AG (CH) 2015-07-23 — — WO disclosed
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