SCHEMBL31361348

SCHEMBL31361348

Cc1ccnc(Oc2ccc(-c3c(I)n4c5c(cnc(N)c35)OCCC4)cc2F)n1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 8/20 0.41
FEN1 P39748 7/20 0.41
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
TNK2 Q07912 3/20 0.32
PIK3CA P42336 6/20 0.31
GRM2 Q14416 1/20 0.31
RAF1 P04049 1/20 0.31
MAP2K1 Q02750 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
SCHEMBL31361309 0.84 CYP3A4 (0.36) ALOX5APFEN1CYP3A4CYP2D6FGFR1
SCHEMBL31361308 0.79 CYP3A4 (0.55) ALOX5APFEN1CYP3A4CYP2D6FGFR1
SCHEMBL22658735 0.73 CYP3A4 (0.64) ALOX5APFEN1CYP3A4CYP2D6FGFR1
SCHEMBL31361297 0.72 CYP3A4 (0.44) ALOX5APFEN1CYP3A4CYP2D6FGFR1
SCHEMBL31264718 0.71 CYP2C9 (0.54) ALOX5APFEN1CYP3A4CYP2D6FGFR1
SCHEMBL29407794 0.70 CYP2D6 (0.49) ALOX5APFEN1CYP3A4CYP2D6FGFR1
SCHEMBL22676285 0.70 CYP2D6 (0.49) ALOX5APFEN1CYP3A4CYP2D6FGFR1
SCHEMBL31129017 0.70 ALOX5AP (0.46) ALOX5APFEN1CYP3A4CYP2D6FGFR1
SCHEMBL30367018 0.69 CYP3A4 (0.46) ALOX5APFEN1CYP3A4CYP2D6FGFR1
SCHEMBL25129368 0.68 CYP3A4 (0.45) 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
CN-119161346-A Pyrrolo-ring compound and application thereof in medicine 康百达(四川)生物医药科技有限公司 2024-12-20 CN disclosed