SCHEMBL6511079

SCHEMBL6511079

CCOC(=O)C[C@H](O)C[C@H](O)COc1cc2ncnc(Nc3ccc(Br)cc3F)c2cc1OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 19/20 0.62
EGFR P00533 17/20 0.62
RET P07949 2/20 0.62
KIF5B P33176 2/20 0.62
FGFR1 P11362 10/20 0.53
FLT1 P17948 10/20 0.53
FLT4 P35916 9/20 0.53
PDGFRB P09619 3/20 0.53
FGFR2 P21802 2/20 0.53
FGFR4 P22455 2/20 0.53
FGFR3 P22607 2/20 0.53
TEK Q02763 2/20 0.53
BMPR1B O00238 1/20 0.53
PLK4 O00444 1/20 0.53
CIT O14578 1/20 0.53
GAK O14976 1/20 0.53
EPHB6 O15197 1/20 0.53
RIPK2 O43353 1/20 0.53
ROCK2 O75116 1/20 0.53
STK10 O94804 1/20 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
SCHEMBL6507973 0.90 KDR (0.67) KDREGFRRETKIF5BFGFR1
SCHEMBL6264554 0.84 EGFR (0.71) KDREGFRFLT4PDGFRBTEK
SCHEMBL5448866 0.83 KDR (0.73) KDREGFRRETKIF5BFGFR1
Hydrochloric Acid SCHEMBL5453290 0.82 KDR (0.71) KDREGFRRETKIF5BFGFR1
SCHEMBL19006858 0.81 KDR (0.87) KDREGFRRETKIF5BFGFR1
SCHEMBL5757222 0.80 KDR (0.69) KDREGFRRETKIF5BFGFR1
SCHEMBL5451347 0.80 KDR (0.69) KDREGFRRETKIF5BFGFR1
SCHEMBL5456479 0.80 KDR (0.69) KDREGFRRETKIF5BFGFR1
Hydrochloric Acid SCHEMBL5443230 0.80 KDR (0.68) KDREGFRRETKIF5BFGFR1
Hydrochloric Acid SCHEMBL5454160 0.80 KDR (0.68) KDREGFRRETKIF5BFGFR1

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
WO-2005097134-A2 QUINAZOLINE BASED PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2005-10-20 WO disclosed