SCHEMBL27368872

SCHEMBL27368872

C#Cc1cccc(Nc2ncnc3cc(OCCC)c(C(N)=O)cc23)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 2/20 0.66
EGFR P00533 15/20 0.66
ERBB2 P04626 7/20 0.66
GAK O14976 3/20 0.66
AURKA O14965 2/20 0.66
RIPK2 O43353 2/20 0.66
BUB1 O43683 2/20 0.66
STK10 O94804 2/20 0.66
ABL1 P00519 2/20 0.66
LCK P06239 2/20 0.66
LYN P07948 2/20 0.66
RET P07949 2/20 0.66
SRC P12931 2/20 0.66
FGFR2 P21802 2/20 0.66
FECH P22830 2/20 0.66
KDR P35968 2/20 0.66
FLT3 P36888 2/20 0.66
MAP3K1 Q13233 2/20 0.66
PLK4 O00444 1/20 0.66
CIT O14578 1/20 0.66

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
SCHEMBL27368875 0.88 EGFR (0.51) FBP1EGFRERBB2GAKAURKA
SCHEMBL27389185 0.88 EGFR (0.50) FBP1EGFRERBB2GAKAURKA
SCHEMBL1507686 0.87 FBP1 (0.64) FBP1EGFRERBB2GAKAURKA
SCHEMBL1656960 0.87 FBP1 (0.85) FBP1EGFRERBB2GAKAURKA
SCHEMBL27369674 0.87 EGFR (0.63) FBP1EGFRERBB2GAKAURKA
SCHEMBL1507542 0.86 FBP1 (0.65) FBP1EGFRERBB2GAKAURKA
SCHEMBL1507543 0.86 FBP1 (0.62) FBP1EGFRERBB2GAKAURKA
SCHEMBL4108602 0.84 FBP1 (0.84) FBP1EGFRERBB2GAKAURKA
Hydrochloric Acid SCHEMBL1507613 0.83 EGFR (0.83) FBP1EGFRERBB2GAKAURKA
SCHEMBL13524620 0.83 EGFR (0.94) FBP1EGFRERBB2GAKAURKA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1066142-C Quinazoline derivatives PFIZER (US) 2001-05-23 CN claimed
CN-1137037-A Quinazoline derivatives PFIZER (US) 1996-12-04 CN claimed