SCHEMBL31160461

SCHEMBL31160461

Cc1ccc(-c2[nH]c3ncccc3c2C=O)c(-c2ccsc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CKS1B P61024 2/20 0.46
▸ SKP2 Q13309 2/20 0.46
▸ CYP2A6 P11509 2/20 0.37
▸ BTK Q06187 1/20 0.36
▸ CCNB2 O95067 1/20 0.34
▸ CDK1 P06493 1/20 0.34
▸ CCNB1 P14635 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ CDK5 Q00535 1/20 0.34
▸ CDK5R1 Q15078 1/20 0.34
▸ CCNB3 Q8WWL7 1/20 0.34
▸ COPS5 Q92905 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ TOP1 P11387 1/20 0.34
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2B6 P20813 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ IDH2 P48735 2/20 0.33

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
SCHEMBL31160472 0.86 CKS1B (0.45) CKS1BSKP2CYP2A6BTKCOPS5
SCHEMBL31160505 0.86 COPS5 (0.43) CKS1BSKP2COPS5ALDH1A1IDO1
SCHEMBL31160491 0.73 RIPK1 (0.46) CKS1BSKP2CYP2A6CCNB2CDK1
SCHEMBL31160473 0.73 COPS5 (0.43) CKS1BSKP2GSK3BCOPS5
SCHEMBL1777845 0.69 ADORA2A (0.50) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL857345 0.68 CCNB2 (0.43) CKS1BSKP2CYP2A6CCNB2CDK1
SCHEMBL1714222 0.67 KMT2A (0.47) ALDH1A1
SCHEMBL31160463 0.66 COPS5 (0.52) CKS1BSKP2COPS5
SCHEMBL31160476 0.66 COPS5 (0.52) CKS1BSKP2COPS5
SCHEMBL1362174 0.65 CCNT1 (0.42) CCNB2CDK1CCNB1GSK3BCDK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119019389-B 7-Azaindole compound and synthetic method and application thereof SICHUAN UNIVERSITY (CN) 2026-05-26 — — CN disclosed
CN-119019389-A 7-Azaindole compound and synthetic method and application thereof 四川大学 2024-11-26 — — CN disclosed
Send feedback