SCHEMBL27739612

SCHEMBL27739612

COc1c(-c2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)cc2)c2c(N)ncnn2c1Br

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.57
FLT1 P17948 8/20 0.57
TEK Q02763 4/20 0.57
FLT3 P36888 8/20 0.56
KIT P10721 8/20 0.56
CSF1R P07333 6/20 0.56
FLT4 P35916 6/20 0.56
FGFR1 P11362 5/20 0.56
LCK P06239 5/20 0.56
PDGFRB P09619 4/20 0.56
AURKA O14965 4/20 0.56
FGFR3 P22607 3/20 0.56
PDGFRA P16234 2/20 0.56
AURKB Q96GD4 2/20 0.56
FGFR2 P21802 1/20 0.56
FGFR4 P22455 1/20 0.56
MAPK9 P45984 4/20 0.53
RPS6KA3 P51812 4/20 0.53
RET P07949 3/20 0.53
FRK P42685 3/20 0.53

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
SCHEMBL276370 0.88 FLT3 (0.63) KDRFLT1TEKFLT3KIT
SCHEMBL277119 0.86 KDR (0.55) KDRFLT1TEKFLT3KIT
SCHEMBL328034 0.86 KDR (0.55) KDRFLT1TEKFLT3KIT
SCHEMBL279552 0.86 KDR (0.54) KDRFLT1TEKFLT3KIT
SCHEMBL27759940 0.84 FLT3 (0.62) KDRFLT1TEKFLT3KIT
SCHEMBL10272909 0.84 AURKA (0.59) KDRFLT1TEKFLT3KIT
SCHEMBL27759963 0.83 FLT3 (0.72) KDRFLT1TEKFLT3KIT
SCHEMBL275168 0.83 KDR (0.51) KDRFLT1TEKFLT3KIT
SCHEMBL274856 0.83 FLT3 (0.70) KDRFLT1TEKFLT3KIT
SCHEMBL16015577 0.82 KDR (0.51) KDRFLT1TEKFLT3KIT

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 disclosed