SCHEMBL112414

SCHEMBL112414

[c]1nc2c(s1)CCNC2

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
SCHEMBL17631889 0.85
SCHEMBL206559 0.83
SCHEMBL951624 0.80
SCHEMBL679159 0.69
SCHEMBL19638148 0.62 PDCD1 (0.42)
SCHEMBL1019988 0.62
SCHEMBL15908261 0.62 PDCD1 (0.42)
SCHEMBL15910247 0.61 PDCD1 (0.48)
SCHEMBL21041611 0.61 PDCD1 (0.41)
Hydrochloric Acid SCHEMBL16054017 0.61 PNMT (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3442977-B1 INHIBITORS OF ACTIVIN RECEPTOR-LIKE KINASE BLUEPRINT MEDICINES CORP (US) 2023-06-28 EP claimed
EP-3939973-A1 HETERO-HALO INHIBITORS OF HISTONE DEACETYLASE Alkermes, Inc. (US) 2022-01-19 EP claimed
CN-109311889-B Activin receptor-like kinase inhibitors 缆图药品公司 2021-11-16 CN claimed
US-10421756-B2 Heterobicyclic N-aminophenyl-amides as inhibitors of histone deacetylase RODIN THERAPEUTICS, INC. (US) 2019-09-24 US claimed
EP-3442977-A1 INHIBITORS OF ACTIVIN RECEPTOR-LIKE KINASE Blueprint Medicines Corporation (US) 2019-02-20 EP claimed
US-20180194760-A1 HETEROBICYCLIC N-AMINOPHENYL-AMIDES AS INHIBITORS OF HISTONE DEACETYLASE JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2018-07-12 US claimed
US-20180194769-A1 HETERO-HALO INHIBITORS OF HISTONE DEACETYLASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-07-12 US claimed
EP-3319959-A1 HETERO-HALO INHIBITORS OF HISTONE DEACETYLASE Rodin Therapeutics, Inc. (US) 2018-05-16 EP claimed
EP-3319968-A1 HETEROBICYCLIC N-AMINOPHENYL-AMIDES AS INHIBITORS OF HISTONE DEACETYLASE Rodin Therapeutics, Inc. (US) 2018-05-16 EP claimed
WO-2017181117-A1 INHIBITORS OF ACTIVIN RECEPTOR-LIKE KINASE BLUEPRINT MEDICINES CORPORATION (US) 2017-10-19 WO claimed
WO-2017007755-A1 HETEROBICYCLIC N-AMINOPHENYL-AMIDES AS INHIBITORS OF HISTONE DEACETYLASE RODIN THERAPEUTICS, INC. (US) 2017-01-12 WO claimed
WO-2017007756-A1 HETERO-HALO INHIBITORS OF HISTONE DEACETYLASE RODIN THERAPEUTICS, INC (US) 2017-01-12 WO claimed
EP-2424858-B1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-05-14 EP claimed
EP-2424858-A1 CXCR3 RECEPTOR ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-03-07 EP claimed
WO-2010126851-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 WO claimed
US-20100273781-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-28 US claimed
US-20240158398-A1 INHIBITORS OF ACTIVIN RECEPTOR-LIKE KINASE BLUEPRINT MEDICINES CORPORATION 2024-05-16 US disclosed
US-11858939-B2 Hetero-halo inhibitors of histone deacetylase ALKERMES, INC. (US) 2024-01-02 US disclosed
WO-2010126851-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 WO disclosed
US-20100273781-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-28 US disclosed