SCHEMBL5140616

SCHEMBL5140616

CC(=O)c1cc(-c2ccc(NC(=O)Nc3cc(C(F)(F)CF)ccc3F)cc2)c2c(N)ncnn12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.50
KIT P10721 8/20 0.50
FLT3 P36888 8/20 0.50
FLT1 P17948 7/20 0.50
CSF1R P07333 6/20 0.50
FLT4 P35916 6/20 0.50
LCK P06239 5/20 0.50
FGFR1 P11362 5/20 0.50
PDGFRB P09619 4/20 0.50
GSK3B P49841 4/20 0.50
TEK Q02763 4/20 0.50
AURKA O14965 4/20 0.50
LYN P07948 4/20 0.50
BLK P51451 4/20 0.50
MAPK9 P45984 4/20 0.50
RPS6KA3 P51812 4/20 0.50
GSK3A P49840 3/20 0.50
FGFR3 P22607 3/20 0.50
RET P07949 3/20 0.50
SRC P12931 3/20 0.50

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
SCHEMBL58313 0.92 KDR (0.59) KDRKITFLT3FLT1CSF1R
SCHEMBL5140618 0.86 KDR (0.45) KDRKITFLT3FLT1CSF1R
SCHEMBL66159 0.83 FLT3 (0.56) KDRKITFLT3FLT1CSF1R
SCHEMBL60464 0.83 KDR (0.57) KDRKITFLT3FLT1CSF1R
SCHEMBL58543 0.80 RIPK1 (0.58) KDRKITFLT3FLT1CSF1R
SCHEMBL57890 0.80 KDR (0.53) KDRKITFLT3FLT1CSF1R
SCHEMBL57834 0.78 IKBKE (0.59) KDRKITFLT3FLT1CSF1R
SCHEMBL58732 0.78 FLT3 (0.53) KDRKITFLT3FLT1CSF1R
SCHEMBL59547 0.77 FLT3 (0.55) KDRKITFLT3FLT1CSF1R
SCHEMBL10272909 0.76 AURKA (0.59) KDRKITFLT3FLT1CSF1R

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957485-A2 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS Bayer Healthcare, LLC (US) 2008-08-20 EP disclosed
WO-2007064931-A2 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC (US) 2007-06-07 WO disclosed