SCHEMBL31361279

SCHEMBL31361279

CCOc1nnc(N)c2c(-c3ccc(Oc4nccc(C)n4)c(F)c3)cn(C)c12

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 11/20 0.47
FEN1 P39748 10/20 0.47
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
FGFR1 P11362 1/20 0.42
CYP2C9 P11712 1/20 0.42
FGFR2 P21802 1/20 0.42
FGFR4 P22455 1/20 0.42
FGFR3 P22607 1/20 0.42
CYP2C19 P33261 1/20 0.42
GRM2 Q14416 5/20 0.35
BRD4 O60885 2/20 0.34
RXRA P19793 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33

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
SCHEMBL31361288 0.92 ALOX5AP (0.47) ALOX5APFEN1CYP3A4CYP2D6FGFR1
SCHEMBL31361297 0.84 CYP3A4 (0.44) ALOX5APFEN1CYP3A4CYP2D6FGFR1
SCHEMBL31361296 0.81 CACNA2D1 (0.40) ALOX5APFEN1CYP3A4CYP2D6FGFR1
SCHEMBL30367019 0.80 ALOX5AP (0.48) ALOX5APFEN1CYP3A4CYP2D6FGFR1
SCHEMBL26106772 0.79 CYP3A4 (0.56) ALOX5APFEN1CYP3A4CYP2D6FGFR1
SCHEMBL29407664 0.79 CYP3A4 (0.56) ALOX5APFEN1CYP3A4CYP2D6FGFR1
SCHEMBL25640015 0.76 CYP3A4 (0.46) ALOX5APFEN1CYP3A4CYP2D6FGFR1
SCHEMBL31361310 0.76 ALOX5AP (0.37) ALOX5APFEN1CYP3A4CYP2D6FGFR1
SCHEMBL28981128 0.76 ALOX5AP (0.54) ALOX5APFEN1CYP3A4CYP2D6FGFR1
SCHEMBL31361305 0.75 CYP2C9 (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