SCHEMBL5217

SCHEMBL5217

[c]1ccnc2[nH]ccc12

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
SCHEMBL71471 0.65
SCHEMBL71856 0.65
SCHEMBL75733 0.65
SCHEMBL574970 0.65
SCHEMBL83270 0.64
SCHEMBL18493469 0.63 AXL (0.46)
SCHEMBL31010424 0.62
SCHEMBL17198 0.62
SCHEMBL16358 0.61 SIGMAR1 (0.31)
SCHEMBL91443 0.61 PRKCI (0.59)

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

Appears in 6993 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12029739-B2 SHP2 inhibitor and use thereof KANAPH THERAPEUTICS INC. (KR) 2024-07-09 US claimed
WO-2024140637-A1 OXOISOINDOLINYL SUBSTITUTED PIPERIDINEDIONE DERIVATIVE AND USE THEREOF 标新生物医药科技(上海)有限公司 2024-07-04 WO claimed
CN-113330001-B 3, 3-Difluoroallylamine or salt thereof and pharmaceutical composition comprising the same 柳韩洋行 2024-07-02 CN claimed
US-20240208902-A1 CYCLOBUTYL AMIDE MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-06-27 US claimed
US-12018030-B2 Pyrrolo and pyrazolopyrimidines as ubiquitin-specific protease 7 inhibitors VALO HEALTH, INC. (US) 2024-06-25 US claimed
EP-4385980-A1 INDAZOLES AS INHIBITORS OF NAV1.8 Grünenthal GmbH (DE) 2024-06-19 EP claimed
EP-4385979-A1 MULTICYCLIC INHIBITORS OF NAV1.8 Grünenthal GmbH (DE) 2024-06-19 EP claimed
US-20240189306-A1 SHP2 INHIBITOR AND USE THEREOF KANAPH THERAPEUTICS INC. (KR) 2024-06-13 US claimed
WO-2024123700-A1 HISTONE DEACETYLASE INHIBITORS THE GENERAL HOSPITAL CORPORATION (US) 2024-06-13 WO claimed
US-11999699-B2 Substituted pyrazole amides Grünenthal GmbH (DE) 2024-06-04 US claimed
US-20020019412-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2002-02-14 US claimed
WO-2001036403-A1 UREA DERIVATIVES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2001-05-25 WO claimed
EP-1062218-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 2000-12-27 EP claimed
WO-2000071537-A1 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS ASTRAZENECA AB (SE) 2000-11-30 WO claimed
WO-1999046268-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 1999-09-16 WO claimed
EP-0891340-A1 OXAZOLE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1999-01-20 EP claimed
EP-0748805-B1 Naphthalene derivatives, process for the preparation thereof, and intermediates therefor, and pharmaceutical compositions comprising them TANABE SEIYAKU CO (JP) 1998-04-08 EP claimed
WO-1997036882-A1 OXAZOLE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-10-09 WO claimed
EP-0620813-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVES AS ANTAGONISTS OF PAF AND ANGIOTENSIN II BRITISH BIO-TECHNOLOGY LIMITED (GB) 1994-10-26 EP claimed
WO-1993014069-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVES AS ANTAGONISTS OF PAF AND ANGIOTENSIN II BRITISH BIO-TECHNOLOGY LIMITED (GB) 1993-07-22 WO claimed