SCHEMBL31129012

SCHEMBL31129012

C=C(C)C(=O)Nc1ccc(-c2sc3c(Br)cnc(N)c3c2-c2ccc(Oc3nccc(C)n3)cc2)cc1C

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
FGFR1 P11362 1/20 0.41
CYP2C9 P11712 1/20 0.41
FGFR2 P21802 1/20 0.41
FGFR4 P22455 1/20 0.41
FGFR3 P22607 1/20 0.41
CYP2C19 P33261 1/20 0.41
JAK3 P52333 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PIK3CA P42336 1/20 0.31

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
SCHEMBL31128966 0.91 CYP3A4 (0.41) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL31128969 0.90 FGFR1 (0.48) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL31128874 0.87 KDR (0.42) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL31128990 0.84 FGFR1 (0.50) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL31128994 0.83 FGFR1 (0.41) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL31128959 0.81 FGFR1 (0.62) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL31128884 0.80 FGFR1 (0.40) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL31129020 0.80 CYP3A4 (0.41) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL31128829 0.79 CYP3A4 (0.46) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL31128839 0.78 FGFR1 (0.46) CYP3A4CYP2D6FGFR1CYP2C9FGFR2

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
WO-2024208315-A1 AROMATIC HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 中国医药研究开发中心有限公司 2024-10-10 WO disclosed