SCHEMBL17004669

SCHEMBL17004669

C(#Cc1cc(-c2n[nH]c3c2Cc2ccc(Cn4cncn4)cc2-3)cs1)COc1ccc(-c2ccncc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 20/20 0.79
KCNH2 Q12809 11/20 0.79
CSF1R P07333 2/20 0.74
PDGFRB P09619 2/20 0.74
KIT P10721 2/20 0.74
PDGFRA P16234 2/20 0.74
FLT4 P35916 2/20 0.74
TEK Q02763 2/20 0.74
LCK P06239 1/20 0.74
FYN P06241 1/20 0.59
SRC P12931 1/20 0.59
FLT1 P17948 1/20 0.59
FLT3 P36888 1/20 0.59

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
SCHEMBL4818668 0.96 KDR (0.86) KDRKCNH2CSF1RPDGFRBKIT
SCHEMBL5930168 0.93 KDR (0.76) KDRKCNH2CSF1RPDGFRBKIT
SCHEMBL4817692 0.89 KDR (0.82) KDRKCNH2CSF1RPDGFRBKIT
SCHEMBL4820265 0.88 KDR (0.87) KDRKCNH2CSF1RPDGFRBKIT
SCHEMBL4817373 0.88 KDR (0.79) KDRKCNH2CSF1RPDGFRBKIT
SCHEMBL4813257 0.87 KDR (0.80) KDRKCNH2CSF1RPDGFRBKIT
SCHEMBL4815812 0.86 KDR (0.82) KDRKCNH2CSF1RPDGFRBKIT
SCHEMBL4818825 0.86 KDR (0.75) KDRKCNH2CSF1RPDGFRBKIT
SCHEMBL4812046 0.85 KDR (0.89) KDRKCNH2CSF1RPDGFRBKIT
SCHEMBL17004664 0.85 KDR (1.00) KDRKCNH2CSF1RPDGFRBKIT

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-1740579-B1 TRICYCLIC PYRAZOLE KINASE INHIBITORS ABBVIE INC (US) 2015-08-19 EP disclosed