SCHEMBL18862763

SCHEMBL18862763

COc1cc2ncnc(Nc3ccc(F)c(CI)c3)c2cc1N

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.60
KDR P35968 4/20 0.59
FBP1 P09467 2/20 0.59
CLK1 P49759 2/20 0.59
RET P07949 2/20 0.59
AURKA O14965 1/20 0.59
ERBB2 P04626 1/20 0.59
INSR P06213 1/20 0.59
PDGFRB P09619 1/20 0.59
FLT4 P35916 1/20 0.59
EPHB4 P54760 1/20 0.59
TEK Q02763 1/20 0.59
AURKB Q96GD4 1/20 0.59
RIPK2 O43353 1/20 0.59
KIF5B P33176 1/20 0.59
NOD1 Q9Y239 1/20 0.59
ABCG2 Q9UNQ0 1/20 0.55
LCK P06239 2/20 0.54
FLT1 P17948 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
SCHEMBL18862788 0.88 EGFR (0.60) EGFRKDRFBP1CLK1RET
SCHEMBL12846249 0.85 EGFR (0.64) EGFRKDRFBP1CLK1RET
SCHEMBL26876 0.84 EGFR (0.83) EGFRKDRFBP1CLK1AURKA
SCHEMBL29362232 0.84 EGFR (0.83) EGFRKDRFBP1CLK1AURKA
SCHEMBL6792594 0.83 EGFR (0.74) EGFRKDRFBP1CLK1RET
SCHEMBL18862789 0.83 EGFR (0.63) EGFRKDRFBP1CLK1RET
Hydrochloric Acid SCHEMBL28101874 0.83 EGFR (0.81) EGFRKDRFBP1CLK1AURKA
Water SCHEMBL28549003 0.83 EGFR (0.81) EGFRKDRFBP1CLK1AURKA
SCHEMBL18033827 0.83 EGFR (0.56) EGFRKDRFBP1CLK1RET
SCHEMBL14388216 0.81 EGFR (0.56) EGFRKDRFBP1CLK1RET

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-2716633-B1 QUINAZOLINE DERIVATIVE AS TYROSINE-KINASE INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF XUANZHU PHARMA CO LTD (CN) 2017-05-17 EP disclosed