SCHEMBL18033827

SCHEMBL18033827

NCCOc1cc2ncnc(Nc3ccc(F)c(CI)c3)c2cc1OCCN

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.56
FBP1 P09467 2/20 0.56
RET P07949 2/20 0.54
KDR P35968 3/20 0.53
AURKA O14965 1/20 0.53
ERBB2 P04626 1/20 0.53
INSR P06213 1/20 0.53
PDGFRB P09619 1/20 0.53
FLT4 P35916 1/20 0.53
CLK1 P49759 1/20 0.53
EPHB4 P54760 1/20 0.53
TEK Q02763 1/20 0.53
AURKB Q96GD4 1/20 0.53
RIPK2 O43353 1/20 0.53
KIF5B P33176 1/20 0.53
NOD1 Q9Y239 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
SCHEMBL18033825 0.90 EGFR (0.67) EGFRFBP1RETKDRAURKA
SCHEMBL18033824 0.90 EGFR (0.67) EGFRFBP1RETKDRAURKA
SCHEMBL15217652 0.84 FBP1 (0.78) EGFRFBP1KDRAURKAERBB2
SCHEMBL18862763 0.83 EGFR (0.60) EGFRFBP1RETKDRAURKA
SCHEMBL18862788 0.82 EGFR (0.60) EGFRFBP1RETKDRAURKA
SCHEMBL25707230 0.81 RET (0.68) EGFRFBP1RETKDRAURKA
SCHEMBL18033826 0.81 EGFR (0.55) EGFRFBP1RETKDRAURKA
SCHEMBL14863005 0.80 EGFR (0.84) EGFRFBP1KDRAURKAERBB2
SCHEMBL25735856 0.79 RET (0.55) EGFRFBP1RETKDRAURKA
SCHEMBL14387986 0.78 FBP1 (0.59) EGFRFBP1AURKAERBB2

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-2634178-B1 QUINAZOLINE DERIVATIVE AND QUINAZOLINE COMPLEX PROTEIN KINASE INHIBITOR FOR INHIBITING MULTIPLICATION OF TUMOR CELLS AND PREPARATION METHOD THEREOF CHINESE ACAD INST CHEMISTRY (CN) 2016-08-24 EP disclosed