SCHEMBL31620304

SCHEMBL31620304

COc1ccc(CNc2cc(C#N)c3cnccc3c2)c(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERBB2 P04626 1/20 0.50
▸ PRKACA P17612 1/20 0.50
▸ RPS6KB1 P23443 1/20 0.50
▸ GSK3A P49840 1/20 0.50
▸ GSK3B P49841 1/20 0.50
▸ IRAK1 P51617 1/20 0.50
▸ RPS6KA3 P51812 1/20 0.50
▸ ROCK1 Q13464 1/20 0.50
▸ CDC42BPA Q5VT25 1/20 0.50
▸ AURKB Q96GD4 1/20 0.50
▸ CSNK1G3 Q9Y6M4 1/20 0.50
▸ KDM4C Q9H3R0 1/20 0.49
▸ CYP1A2 P05177 13/20 0.46
▸ CYP3A4 P08684 13/20 0.46
▸ CLK4 Q9HAZ1 11/20 0.46
▸ CYP2D6 P10635 11/20 0.46
▸ CYP2C19 P33261 10/20 0.46
▸ TSHR P16473 8/20 0.46
▸ USP2 O75604 7/20 0.46
▸ LMNA P02545 6/20 0.46

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
SCHEMBL4791564 0.80 KDM4C (0.60) ERBB2PRKACARPS6KB1GSK3AGSK3B
SCHEMBL31620478 0.78 BCDIN3D (0.48) ERBB2PRKACARPS6KB1GSK3AGSK3B
SCHEMBL19198190 0.74 CYP1A2 (0.61) ERBB2PRKACARPS6KB1GSK3AGSK3B
SCHEMBL30520316 0.74 CYP1A2 (0.61) ERBB2PRKACARPS6KB1GSK3AGSK3B
SCHEMBL1197943 0.71 CYP1A2 (0.59) CYP1A2CYP3A4CLK4CYP2D6CYP2C19
SCHEMBL28595894 0.70 CYP1A2 (0.55) ERBB2PRKACARPS6KB1GSK3AGSK3B
SCHEMBL31009147 0.70 APLNR (0.56) ERBB2PRKACARPS6KB1GSK3AGSK3B
SCHEMBL20238802 0.70 CYP1A2 (0.63) ERBB2PRKACARPS6KB1GSK3AGSK3B
SCHEMBL27948920 0.70 APLNR (0.69) ERBB2PRKACARPS6KB1GSK3AGSK3B
SCHEMBL27152701 0.69 CYP1A2 (0.58) CYP1A2CYP3A4CLK4CYP2D6CYP2C19

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-120152713-A Tricyclic aryl derivatives and compositions and methods thereof 昂胜医疗科技公司 2025-06-13 — — CN disclosed
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