SCHEMBL27759958

SCHEMBL27759958

COc1c(-c2ccc(NC(=O)Nc3cc(C(F)(F)F)ccn3)cc2)c2c(N)ncnn2c1CN1CCNC(=O)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 19/20 0.46
FGFR3 P22607 12/20 0.45
FLT3 P36888 2/20 0.44
MAPK9 P45984 2/20 0.44
RPS6KA3 P51812 2/20 0.44
RET P07949 1/20 0.44
BCR P11274 1/20 0.44
FRK P42685 1/20 0.44
PRKCD Q05655 1/20 0.44
DDR1 Q08345 1/20 0.44
MAP4K2 Q12851 1/20 0.44
TNK1 Q13470 1/20 0.44
RPS6KA1 Q15418 1/20 0.44
MAP3K11 Q16584 1/20 0.44
DDR2 Q16832 1/20 0.44
RPS6KA6 Q9UK32 1/20 0.44
BTK Q06187 1/20 0.44
FGFR4 P22455 1/20 0.43
PLK4 O00444 1/20 0.40
AURKA O14965 1/20 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
SCHEMBL275487 0.91 FGFR1 (0.55) FGFR1FGFR3FLT3MAPK9RPS6KA3
SCHEMBL27739574 0.90 FGFR1 (0.57) FGFR1FGFR3FLT3MAPK9RPS6KA3
SCHEMBL27739573 0.88 FLT3 (0.57) FGFR1FGFR3FLT3MAPK9RPS6KA3
SCHEMBL276867 0.87 FGFR1 (0.43) FGFR1FGFR3FLT3MAPK9RPS6KA3
SCHEMBL59832 0.84 ACVRL1 (0.50) FGFR1FLT3MAPK9PRKCDBTK
SCHEMBL275149 0.81 FGFR1 (0.69) FGFR1FGFR3FLT3MAPK9RPS6KA3
SCHEMBL327927 0.79 FGFR1 (0.58) FGFR1FGFR3FLT3MAPK9RPS6KA3
SCHEMBL276626 0.79 FLT3 (0.55) FGFR1FGFR3FLT3MAPK9RPS6KA3
SCHEMBL276751 0.79 FGFR1 (0.70) FGFR1FGFR3FLT3MAPK9RPS6KA3
SCHEMBL276123 0.78 FLT3 (0.55) FGFR1FGFR3FLT3MAPK9RPS6KA3

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-101365454-A Substituted 4-amino-pyrrolotriazine derivatives for the treatment of hyperproliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC (US) 2009-02-11 CN claimed