SCHEMBL5140618

SCHEMBL5140618

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 0.45
FLT1 P17948 8/20 0.45
CSF1R P07333 6/20 0.45
FLT4 P35916 6/20 0.45
PDGFRB P09619 6/20 0.45
LCK P06239 5/20 0.45
FLT3 P36888 5/20 0.45
KIT P10721 5/20 0.45
AURKA O14965 4/20 0.45
FGFR1 P11362 4/20 0.45
TEK Q02763 4/20 0.45
GSK3A P49840 3/20 0.45
ROCK2 O75116 3/20 0.45
LYN P07948 3/20 0.45
MET P08581 3/20 0.45
RPS6KB1 P23443 3/20 0.45
CSNK1D P48730 3/20 0.45
LIMK1 P53667 3/20 0.45
ROCK1 Q13464 3/20 0.45
DYRK1A Q13627 3/20 0.45

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 0.87 KDR (0.59) KDRFLT1CSF1RFLT4PDGFRB
SCHEMBL5140616 0.86 KDR (0.50) KDRFLT1CSF1RFLT4PDGFRB
SCHEMBL66159 0.79 FLT3 (0.56) KDRFLT1CSF1RFLT4PDGFRB
SCHEMBL60464 0.79 KDR (0.57) KDRFLT1CSF1RFLT4PDGFRB
SCHEMBL58543 0.76 RIPK1 (0.58) KDRFLT1CSF1RFLT4PDGFRB
SCHEMBL58190 0.76 FLT3 (0.42) KDRFLT1CSF1RFLT4LCK
SCHEMBL57890 0.76 KDR (0.53) KDRFLT1CSF1RFLT4PDGFRB
SCHEMBL90824 0.74 KDR (0.48) KDRFLT1CSF1RFLT4PDGFRB
SCHEMBL57834 0.74 IKBKE (0.59) KDRFLT1CSF1RFLT4PDGFRB
SCHEMBL58732 0.74 FLT3 (0.53) KDRFLT1CSF1RFLT4PDGFRB

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