SCHEMBL14700077

SCHEMBL14700077

CC(O)c1cc(-c2ccc(N(C)C(=O)Nc3cc(C(F)(F)F)ccc3F)c(F)c2)c2c(N)ncnn12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVRL1 P37023 4/20 0.49
RIPK1 Q13546 4/20 0.43
RET P07949 3/20 0.42
FGFR1 P11362 3/20 0.42
FLT3 P36888 3/20 0.42
FRK P42685 2/20 0.42
MAPK9 P45984 2/20 0.42
RPS6KA3 P51812 2/20 0.42
MAP4K2 Q12851 2/20 0.42
BCR P11274 1/20 0.42
PRKCD Q05655 1/20 0.42
DDR1 Q08345 1/20 0.42
TNK1 Q13470 1/20 0.42
RPS6KA1 Q15418 1/20 0.42
MAP3K11 Q16584 1/20 0.42
DDR2 Q16832 1/20 0.42
RPS6KA6 Q9UK32 1/20 0.42
KDR P35968 6/20 0.40
FLT1 P17948 4/20 0.40
CSF1R P07333 3/20 0.40

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
SCHEMBL58182 0.87 FLT3 (0.54) ACVRL1RIPK1RETFGFR1FLT3
SCHEMBL5132542 0.83 ACVRL1 (0.51) ACVRL1RIPK1CFTR
SCHEMBL58727 0.78 FLT3 (0.53) ACVRL1RIPK1RETFGFR1FLT3
SCHEMBL60366 0.78 FLT3 (0.51) RIPK1RETFGFR1FLT3FRK
SCHEMBL65866 0.77 FLT3 (0.53) ACVRL1RIPK1RETFGFR1FLT3
SCHEMBL66159 0.75 FLT3 (0.56) RIPK1RETFGFR1FLT3FRK
SCHEMBL14700087 0.75 TYRO3 (0.43) ACVRL1AXLTYRO3
SCHEMBL66060 0.74 FLT3 (0.53) ACVRL1RIPK1RETFGFR1FLT3
SCHEMBL5036474 0.73 FLT3 (0.54) RIPK1RETFGFR1FLT3FRK
SCHEMBL59451 0.73 FGFR1 (0.53) ACVRL1RIPK1RETFGFR1FLT3

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
EP-1957485-B1 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC (US) 2013-02-13 EP disclosed