SCHEMBL31420499

SCHEMBL31420499

CCOC(=O)Nc1cnccc1-c1ccc2n[nH]c(N)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 3/20 0.40
▸ PPID Q08752 1/20 0.39
▸ MMP13 P45452 1/20 0.38
▸ HDAC3 O15379 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ TNIK Q9UKE5 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ METAP2 P50579 1/20 0.37
▸ CDK8 P49336 4/20 0.36
▸ KDR P35968 2/20 0.36
▸ CHEK1 O14757 1/20 0.36
▸ AURKA O14965 1/20 0.36
▸ DAPK3 O43293 1/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ PRKD3 O94806 1/20 0.36
▸ MAP4K4 O95819 1/20 0.36

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
SCHEMBL31420523 0.78 PIK3C3 (0.47) GSK3BJAK3ROCK1
SCHEMBL4466882 0.67 ALDH1A1 (0.56) CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL19255633 0.67 CYP1A2 (0.50) CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL8545860 0.65 ECE1 (0.51) CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL29450047 0.64 NLRP3 (0.55) CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL4022353 0.63 TRPV1 (0.74) SMN1; SMN2
SCHEMBL28945866 0.63 ALDH1A1 (0.41) MMP13HDAC3HDAC1HDAC2CYP1A2
SCHEMBL26886635 0.63 JAK2 (0.48) KDRDAPK3JAK2PRKD3MAP4K4
SCHEMBL29635072 0.63 ALDH1A1 (0.41) MMP13HDAC3HDAC1HDAC2CYP1A2
SCHEMBL30633127 0.63 JAK2 (0.48) KDRDAPK3JAK2PRKD3MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119562945-A IKK inhibitors 癌症研究技术有限公司 2025-03-04 — — CN disclosed
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