SCHEMBL4948702

SCHEMBL4948702

c1[nH]nc2c1CCNC2

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
SCHEMBL4823795 0.88 PNMT (0.37)
SCHEMBL1171123 0.84 HTR2C (0.41)
Hydrochloric Acid SCHEMBL1171163 0.83 HTR2C (0.39)
SCHEMBL1875764 0.83
Hydrochloric Acid SCHEMBL30144072 0.81 PNMT (0.39)
Hydrochloric Acid SCHEMBL31284488 0.81 PNMT (0.39)
SCHEMBL1371426 0.79
Hydrochloric Acid SCHEMBL15232076 0.77
SCHEMBL21733173 0.75 PNMT (0.33)
SCHEMBL11791980 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220144812-A1 QUINOLINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CANCER Epizyme, Inc. (US) 2022-05-12 US claimed
EP-3946623-A1 QUINOLINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CANCER Epizyme Inc (US) 2022-02-09 EP claimed
CN-113891749-A Quinoline derivatives and their use for the treatment of cancer 埃皮齐梅股份有限公司 2022-01-04 CN claimed
WO-2021063404-A1 COMPOUND AS SMALL MOLECULE INHIBITOR PD-1/PD-L1 AND APPLICATION THEREOF 南京明德新药研发有限公司 2021-04-08 WO claimed
WO-2020198567-A1 QUINOLINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CANCER Epizyme, Inc. (US) 2020-10-01 WO claimed
US-20260098049-A1 KRAS MODULATING COMPOUNDS GILEAD SCIENCES INC (US) 2026-04-09 US disclosed
US-12577243-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2026-03-17 US disclosed
US-12247027-B2 P2X7 modulators JANSSEN PHARMACEUTICA NV (BE) 2025-03-11 US disclosed
US-20240228484-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-07-11 US disclosed
US-20240116930-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-04-11 US disclosed
US-11891387-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2024-02-06 US disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-20150080401-A1 Triazine Derivatives PFIZER (US) 2015-03-19 US disclosed
US-8933224-B2 Triazine derivatives PFIZER INC. (US) 2015-01-13 US disclosed
US-20140329820-A1 Triazine Derivatives PFIZER INC. (US) 2014-11-06 US disclosed
WO-2014177977-A1 IMIDAZO-TRIAZINE DERIVATIVES AS PDE10 INHIBITORS PFIZER INC. (US) 2014-11-06 WO disclosed
WO-2014177977-A1 IMIDAZO-TRIAZINE DERIVATIVES AS PDE10 INHIBITORS PFIZER INC. (US) 2014-11-06 WO disclosed
WO-2012114252-A1 NOVEL INDOLE AND PYRROLOPYRIDINE AMIDES ACTELION PHARMACEUTICALS LTD (CH) 2012-08-30 WO disclosed
EP-1885725-B1 TRICYCLIC AZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS HOFFMANN LA ROCHE (CH) 2008-09-24 EP disclosed
US-20060235013-A1 Tricyclic azole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-10-19 US disclosed