SCHEMBL31129017

SCHEMBL31129017

Cc1ccnc(Oc2ccc(-c3c(I)sc4c(Br)cnc(N)c34)cc2F)n1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 15/20 0.46
FEN1 P39748 14/20 0.46
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
FGFR1 P11362 1/20 0.43
CYP2C9 P11712 1/20 0.43
FGFR2 P21802 1/20 0.43
FGFR4 P22455 1/20 0.43
FGFR3 P22607 1/20 0.43
CYP2C19 P33261 1/20 0.43
EPHB4 P54760 1/20 0.35
RXRA P19793 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
AAK1 Q2M2I8 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
SCHEMBL31128809 0.86 ALOX5AP (0.35) ALOX5APFEN1EPHB4
SCHEMBL31128954 0.83 EPHB4 (0.56) ALOX5APFEN1CYP3A4CYP2D6FGFR1
SCHEMBL31128936 0.81 ALOX5AP (0.39) ALOX5APFEN1CYP3A4CYP2D6FGFR1
SCHEMBL31128959 0.79 FGFR1 (0.62) ALOX5APFEN1CYP3A4CYP2D6FGFR1
SCHEMBL31129032 0.77 CYP3A4 (0.41) ALOX5APFEN1CYP3A4CYP2D6FGFR1
SCHEMBL31129030 0.76 CYP3A4 (0.55) ALOX5APFEN1CYP3A4CYP2D6FGFR1
SCHEMBL31128828 0.76 CYP3A4 (0.52) ALOX5APFEN1CYP3A4CYP2D6FGFR1
SCHEMBL22677307 0.73 CYP3A4 (0.50) ALOX5APFEN1CYP3A4CYP2D6FGFR1
SCHEMBL29452527 0.73 CYP3A4 (0.50) ALOX5APFEN1CYP3A4CYP2D6FGFR1
SCHEMBL22658735 0.72 CYP3A4 (0.64) ALOX5APFEN1CYP3A4CYP2D6FGFR1

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