SCHEMBL30366887

SCHEMBL30366887

Cc1ccnc(Oc2ccc(-c3c(-c4cnc(C#C[Si](C)(C)C(C)(C)C)cc4C)n(C)c4c(C#N)cnc(N)c34)cc2F)n1

nearest known ligand 0.41

Predicted protein targets (top 10)

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
ALOX5AP P20292 4/20 0.37
FEN1 P39748 4/20 0.37

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
SCHEMBL30366459 0.91 ALOX5AP (0.35) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL30366760 0.82 RET (0.32)
SCHEMBL28981104 0.82 ALOX5AP (0.40) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL25640020 0.81 CYP3A4 (0.45) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL22678193 0.79 CYP3A4 (0.42) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL29452495 0.79 CYP3A4 (0.42) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL30367018 0.79 CYP3A4 (0.46) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL30366837 0.79 ALOX5AP (0.36) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL22658635 0.78 CYP3A4 (0.43) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL29452469 0.78 CYP3A4 (0.43) 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
CN-115894481-A Nitrogen-containing heteroaryl compound, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2023-04-04 CN disclosed