SCHEMBL7807648

SCHEMBL7807648

COc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1Cl

nearest known ligand 0.89

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.89
KDR P35968 3/20 0.89
FBP1 P09467 2/20 0.89
AURKA O14965 1/20 0.89
ERBB2 P04626 1/20 0.89
INSR P06213 1/20 0.89
PDGFRB P09619 1/20 0.89
FLT4 P35916 1/20 0.89
CLK1 P49759 1/20 0.89
EPHB4 P54760 1/20 0.89
TEK Q02763 1/20 0.89
AURKB Q96GD4 1/20 0.89

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
SCHEMBL30505605 0.94 EGFR (1.00) EGFRKDRFBP1AURKAERBB2
SCHEMBL2099106 0.94 EGFR (1.00) EGFRKDRFBP1AURKAERBB2
Hydrochloric Acid SCHEMBL27887194 0.93 EGFR (0.98) EGFRKDRFBP1AURKAERBB2
SCHEMBL7814811 0.93 EGFR (0.89) EGFRKDRFBP1AURKAERBB2
Hydrochloric Acid SCHEMBL7811119 0.92 EGFR (0.87) EGFRKDRFBP1AURKAERBB2
SCHEMBL17520369 0.91 EGFR (0.85) EGFRKDRFBP1AURKAERBB2
SCHEMBL3238800 0.90 EGFR (0.83) EGFRKDRFBP1AURKAERBB2
SCHEMBL21982432 0.89 EGFR (0.89) EGFRKDRFBP1AURKAERBB2
SCHEMBL8213640 0.88 EGFR (0.85) EGFRKDRFBP1AURKAERBB2
SCHEMBL24413913 0.88 EGFR (0.87) EGFRKDRFBP1AURKAERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0635498-B1 Quinazoline derivatives and their use as anti-cancer agents SYNGENTA LTD (GB) 2001-04-18 EP disclosed
US-5475001-A Quinazoline derivatives ZENECA LIMITED (GB) 1995-12-12 US disclosed
WO-1995003283-A1 QUINAZOLINE DERIVATIVES AND THEIR USE AS ANTI-CANCER AGENTS ZENECA LIMITED (GB) 1995-02-02 WO disclosed
EP-0635498-A1 Quinazoline derivatives and their use as anti-cancer agents ZENECA LIMITED (GB) 1995-01-25 EP disclosed