SCHEMBL12876988

SCHEMBL12876988

C#Cc1cccc(Nc2ncnc3cc(CO)c(OCCC)cc23)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 2/20 0.70
EGFR P00533 17/20 0.69
ERBB2 P04626 7/20 0.69
GAK O14976 3/20 0.69
RIPK2 O43353 2/20 0.69
BUB1 O43683 2/20 0.69
STK10 O94804 2/20 0.69
ABL1 P00519 2/20 0.69
LCK P06239 2/20 0.69
LYN P07948 2/20 0.69
RET P07949 2/20 0.69
SRC P12931 2/20 0.69
FGFR2 P21802 2/20 0.69
FECH P22830 2/20 0.69
KDR P35968 2/20 0.69
FLT3 P36888 2/20 0.69
MAP3K1 Q13233 2/20 0.69
PLK4 O00444 1/20 0.69
CIT O14578 1/20 0.69
AURKA O14965 1/20 0.69

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
SCHEMBL1656960 0.90 FBP1 (0.85) FBP1EGFRERBB2GAKRIPK2
SCHEMBL2607978 0.87 FBP1 (0.74) FBP1EGFRERBB2GAKRIPK2
SCHEMBL13524618 0.85 EGFR (0.94) FBP1EGFRERBB2GAKRIPK2
SCHEMBL13524620 0.85 EGFR (0.94) FBP1EGFRERBB2GAKRIPK2
SCHEMBL1507594 0.85 EGFR (0.89) FBP1EGFRERBB2GAKRIPK2
SCHEMBL4108602 0.85 FBP1 (0.84) FBP1EGFRERBB2GAKRIPK2
SCHEMBL1507686 0.84 FBP1 (0.64) FBP1EGFRERBB2GAKRIPK2
Hydrochloric Acid SCHEMBL1507714 0.84 EGFR (0.87) FBP1EGFRERBB2GAKRIPK2
SCHEMBL13413785 0.84 EGFR (0.80) FBP1EGFRERBB2GAKRIPK2
Hydrochloric Acid SCHEMBL29607083 0.84 EGFR (0.87) FBP1EGFRERBB2GAKRIPK2

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-2011021212-A1 METHODS OF TREATING DRUG RESISTANT AND OTHER TUMORS WITH 6,7-DIALKOXY QUINAZOLINE DERIVATIVES NATCO PHARMA LIMITED (IN) 2011-02-24 WO disclosed