SCHEMBL3358649

SCHEMBL3358649

Cc1n[nH]cc1C#N

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
SCHEMBL24618093 0.77 KDM4E (0.37)
SCHEMBL15154892 0.76
SCHEMBL20168372 0.73
SCHEMBL29118313 0.71
SCHEMBL16297134 0.71
SCHEMBL174460 0.71
SCHEMBL5756852 0.71
SCHEMBL16660378 0.71
SCHEMBL21260141 0.71
SCHEMBL218778 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110139862-B Substituted bicyclic heterocyclic derivatives useful as ROMK channel inhibitors 百时美施贵宝公司 2024-01-16 CN claimed
CN-110678463-B Substituted nitrogen-containing compounds 百时美施贵宝公司 2023-06-06 CN claimed
CN-102718712-B Preparation method of 3-difluoro-methyl pyrazole-4-carboxylic acid and 3-trifluoro-methyl pyrazole-4-carboxylic acid JIANGSU WEIER CHEMICAL CO LTD 2015-04-29 CN claimed
US-12590118-B2 Salt and crystal form of steroid derivative regulator SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2026-03-31 US disclosed
US-20250051387-A1 STEROID DERIVATIVE REGULATORS, METHOD FOR PREPARING THE SAME, AND USES THEREOF SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2025-02-13 US disclosed
US-12139508-B2 Steroid derivative regulators, method for preparing the same, and uses thereof JIANGSU HANSOH PHARMACEUTICAL GROUP CO., LTD. (CN) 2024-11-12 US disclosed
CN-118591534-A Novel benzimidazole pyridine derivatives 豪夫迈·罗氏有限公司 2024-09-03 CN disclosed
CN-114805462-B Steroid derivative regulator and preparation method and application thereof 江苏豪森药业集团有限公司 2024-06-18 CN disclosed
CN-118027131-A Salt of steroid derivative regulator and crystal form thereof 上海翰森生物医药科技有限公司 2024-05-14 CN disclosed
CN-114656514-B Steroid derivative regulator and preparation method and application thereof 江苏豪森药业集团有限公司 2024-05-14 CN disclosed
CN-112778183-B Nitrogen-containing ring derivative regulator, preparation method and application thereof 江苏豪森药业集团有限公司 2024-05-10 CN disclosed
EP-1950213-A2 Process for the synthesis of N-[3- (3-cyanopyrazolo [1,5a] pyrimidin-7-yl) -phnyl] -N-ethyl-acetamide Richter Gedeon Vegyészeti Gyár R.T. (HU) 2008-07-30 EP disclosed
US-7375222-B2 2,4,6-Triamino-1,3,5-triazine derivative ASTELLAS PHARMA INC. (JP) 2008-05-20 US disclosed
US-7375222-B2 2,4,6-Triamino-1,3,5-triazine derivative ASTELLAS PHARMA INC. (JP) 2008-05-20 US disclosed
WO-2008057856-A2 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1 AND/OR NF-KAPPAB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-15 WO disclosed
WO-2008057859-A2 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-I AND/OR NF-KAPPAB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-15 WO disclosed
WO-2007145349-A2 SUBSTITUTED PYRROLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-12-21 WO disclosed
EP-1263759-A2 AZAINDOLES Aventis Pharma Limited (GB) 2002-12-11 EP disclosed
WO-2001047922-A2 AZAINDOLES AVENTIS PHARMA LIMITED (GB) 2001-07-05 WO disclosed
CN-86108643-A Insecticidal method using N-phenylpyrazoles 1987-07-29 CN disclosed