SCHEMBL17004663

SCHEMBL17004663

CC(C)OCCOCC#Cc1cc(-c2n[nH]c3c2Cc2ccc(Cn4cncn4)cc2-3)cs1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 20/20 0.87
KCNH2 Q12809 12/20 0.87
CSF1R P07333 3/20 0.87
KIT P10721 3/20 0.87
FLT4 P35916 3/20 0.87
LCK P06239 2/20 0.87
PDGFRB P09619 2/20 0.87
PDGFRA P16234 2/20 0.87
TEK Q02763 2/20 0.87
FYN P06241 2/20 0.54
FLT1 P17948 2/20 0.54
FLT3 P36888 2/20 0.54
PLK4 O00444 1/20 0.54
CHEK1 O14757 1/20 0.54
IKBKB O14920 1/20 0.54
RPS6KA5 O75582 1/20 0.54
PRKD3 O94806 1/20 0.54
MAP4K4 O95819 1/20 0.54
CHEK2 O96017 1/20 0.54
NTRK1 P04629 1/20 0.54

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
SCHEMBL4813257 0.94 KDR (0.80) KDRKCNH2CSF1RKITFLT4
SCHEMBL17004664 0.93 KDR (1.00) KDRKCNH2CSF1RKITFLT4
SCHEMBL4812046 0.93 KDR (0.89) KDRKCNH2CSF1RKITFLT4
SCHEMBL4818134 0.89 KDR (0.70) KDRKCNH2CSF1RKITFLT4
SCHEMBL4820265 0.89 KDR (0.87) KDRKCNH2CSF1RKITFLT4
SCHEMBL4815260 0.89 KDR (1.00) KDRKCNH2CSF1RKITFLT4
SCHEMBL4816632 0.87 KDR (0.68) KDRKCNH2CSF1RKITFLT4
SCHEMBL4816276 0.86 KDR (0.78) KDRKCNH2CSF1RKITFLT4
SCHEMBL17004669 0.84 KDR (0.79) KDRKCNH2CSF1RKITFLT4
SCHEMBL4815352 0.83 KDR (0.86) KDRKCNH2CSF1RKITFLT4

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 claimed