SCHEMBL3244740

SCHEMBL3244740

COc1nc(Nc2ccc(Br)cc2F)c2ccc(OCC3CCNCC3)cc2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 0.53
EGFR P00533 12/20 0.53
FGFR1 P11362 10/20 0.53
FLT1 P17948 10/20 0.53
FLT4 P35916 10/20 0.53
RET P07949 3/20 0.47
EPHA2 P29317 3/20 0.47
PDGFRB P09619 2/20 0.47
TEK Q02763 2/20 0.47
KIF5B P33176 2/20 0.47
EPHB4 P54760 2/20 0.47
BMPR1B O00238 1/20 0.47
PLK4 O00444 1/20 0.47
CIT O14578 1/20 0.47
GAK O14976 1/20 0.47
EPHB6 O15197 1/20 0.47
RIPK2 O43353 1/20 0.47
ROCK2 O75116 1/20 0.47
STK10 O94804 1/20 0.47
MAP4K4 O95819 1/20 0.47

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
SCHEMBL5411253 0.89 KDR (0.61) KDREGFRFGFR1FLT1FLT4
Hydrochloric Acid SCHEMBL6462110 0.88 KDR (0.62) KDREGFRFGFR1FLT1FLT4
SCHEMBL6461611 0.82 KDR (0.51) KDREGFRFGFR1FLT1FLT4
SCHEMBL7738591 0.76 KDR (0.61) KDREGFRFGFR1FLT1FLT4
SCHEMBL1612820 0.76 KDR (0.84) KDREGFRFGFR1FLT1FLT4
SCHEMBL31319937 0.76 KDR (0.84) KDREGFRFGFR1FLT1FLT4
SCHEMBL6365282 0.75 EGFR (0.47) KDREGFRFGFR1FLT1FLT4
SCHEMBL6477298 0.74 KDR (0.41) KDREGFRFGFR1FLT1FLT4
SCHEMBL17781833 0.73 EGFR (0.48) KDREGFRFGFR1FLT1FLT4
SCHEMBL1782681 0.72 KDR (0.75) KDREGFRFGFR1FLT1FLT4

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-2010028254-A2 SUBSTITUTED QUINAZOLINE INHIBITORS OF GROWTH FACTOR RECEPTOR TYROSINE KINASES AUSPEK PHARMACEUTICALS, INC. (US) 2010-03-11 WO disclosed