SCHEMBL30828481

SCHEMBL30828481

NC(=O)c1c2ccccc2nn1-c1cccnc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 2/20 0.44
CDK2 P24941 2/20 0.44
CCNA1 P78396 2/20 0.44
CHEK1 O14757 1/20 0.43
AURKA O14965 1/20 0.43
CSNK1A1 P48729 1/20 0.43
CDK8 P49336 1/20 0.43
NEK2 P51955 1/20 0.43
LIMK1 P53667 1/20 0.43
CDK5 Q00535 1/20 0.43
DYRK1A Q13627 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
ALOX12 P18054 1/20 0.42
F7 P08709 1/20 0.41
F3 P13726 1/20 0.41
SARM1 Q6SZW1 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
SIRT6 Q8N6T7 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL31457212 0.87 CHEK1 (0.53) CHEK1AURKACSNK1A1CDK8NEK2
SCHEMBL29161027 0.85 CHEK1 (0.56) CHEK1AURKACSNK1A1CDK8NEK2
SCHEMBL29179998 0.76 CNR1 (0.49) DYRK1AHTTKDM4E
SCHEMBL30828488 0.76 CNR1 (0.49) DYRK1AHTTKDM4E
SCHEMBL30177044 0.76 TSHR (0.45) CCNA2CDK2CCNA1F7F3
SCHEMBL17688532 0.75 CNR1 (0.41) ALOX12ADORA3HTTMAPT
SCHEMBL28349333 0.75 SCN9A (0.59) CCNA2CDK2CCNA1
SCHEMBL6411455 0.72 CHEK1 (0.68) CHEK1AURKACSNK1A1CDK8NEK2
SCHEMBL31560022 0.72 CNR1 (0.41) CCNA2CDK2CCNA1F7F3
SCHEMBL18112865 0.70 PARP1 (0.45) CCNA2CDK2CCNA1F7F3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113166063-B Pesticidal compounds 巴斯夫欧洲公司 2025-02-25 CN disclosed
CN-117956984-A Novel microparticles containing active substances 巴斯夫欧洲公司 2024-04-30 CN disclosed
CN-117794908-A (3-quinolinyl) -quinazolines 巴斯夫欧洲公司 2024-03-29 CN disclosed
CN-117794907-A (3-pyridinyl) -quinazolines 巴斯夫欧洲公司 2024-03-29 CN disclosed