SCHEMBL14686250

SCHEMBL14686250

Nc1ncnn2c(C(=O)CCC(=O)O)cc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)c(F)c3)c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 9/20 0.53
FGFR1 P11362 5/20 0.53
MAPK9 P45984 4/20 0.53
RPS6KA3 P51812 4/20 0.53
RET P07949 3/20 0.53
FRK P42685 3/20 0.53
MAP4K2 Q12851 3/20 0.53
PRKCD Q05655 2/20 0.53
BCR P11274 1/20 0.53
DDR1 Q08345 1/20 0.53
TNK1 Q13470 1/20 0.53
RPS6KA1 Q15418 1/20 0.53
MAP3K11 Q16584 1/20 0.53
DDR2 Q16832 1/20 0.53
RPS6KA6 Q9UK32 1/20 0.53
KDR P35968 14/20 0.46
KIT P10721 9/20 0.46
FLT1 P17948 8/20 0.46
CSF1R P07333 7/20 0.46
FLT4 P35916 7/20 0.46

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
SCHEMBL59547 0.91 FLT3 (0.55) FLT3FGFR1MAPK9RPS6KA3RET
SCHEMBL58735 0.90 FLT3 (0.54) FLT3FGFR1MAPK9RPS6KA3RET
SCHEMBL66159 0.88 FLT3 (0.56) FLT3FGFR1MAPK9RPS6KA3RET
SCHEMBL5036474 0.88 FLT3 (0.54) FLT3FGFR1MAPK9RPS6KA3RET
SCHEMBL58496 0.87 FLT3 (0.54) FLT3FGFR1MAPK9RPS6KA3RET
SCHEMBL58727 0.84 FLT3 (0.53) FLT3FGFR1MAPK9RPS6KA3RET
SCHEMBL59010 0.84 FLT3 (0.54) FLT3FGFR1MAPK9RPS6KA3RET
SCHEMBL58182 0.84 FLT3 (0.54) FLT3FGFR1MAPK9RPS6KA3RET
SCHEMBL60289 0.84 FLT3 (0.53) FLT3FGFR1MAPK9RPS6KA3RET
SCHEMBL60592 0.83 FLT3 (0.53) FLT3FGFR1MAPK9RPS6KA3RET

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 claimed