SCHEMBL9445

SCHEMBL9445

COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCBr

nearest known ligand 0.91

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.91
KDR P35968 2/20 0.80
AURKA O14965 1/20 0.80
ERBB2 P04626 1/20 0.80
INSR P06213 1/20 0.80
FBP1 P09467 1/20 0.80
PDGFRB P09619 1/20 0.80
FLT4 P35916 1/20 0.80
CLK1 P49759 1/20 0.80
EPHB4 P54760 1/20 0.80
TEK Q02763 1/20 0.80
AURKB Q96GD4 1/20 0.80

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
SCHEMBL9925 0.95 EGFR (1.00) EGFRKDRAURKAERBB2INSR
SCHEMBL28520911 0.92 EGFR (0.85) EGFRKDRAURKAERBB2INSR
SCHEMBL31491085 0.92 EGFR (0.85) EGFRKDRAURKAERBB2INSR
SCHEMBL14092460 0.92 EGFR (0.92) EGFRKDRAURKAERBB2INSR
SCHEMBL30207668 0.92 EGFR (0.85) EGFRKDRAURKAERBB2INSR
SCHEMBL14964773 0.92 EGFR (0.85) EGFRKDRAURKAERBB2INSR
SCHEMBL13529196 0.91 EGFR (0.98) EGFRKDRAURKAERBB2INSR
SCHEMBL5911655 0.91 EGFR (0.86) EGFRKDRAURKAERBB2INSR
SCHEMBL30520472 0.91 EGFR (0.87) EGFRKDRAURKAERBB2INSR
SCHEMBL13524614 0.91 EGFR (0.87) EGFRKDRAURKAERBB2INSR

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-0823900-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2000-12-27 EP disclosed
US-5770599-A RECEPTOR TYROSINE KINASE INHIBITORS including 4-(3'-chloro-4'-fluoroanilino)-7-methoxy-6-(2-morpholinoethoxy)quinazoline (gefitinib) ZENECA LIMITED (GB) 1998-06-23 US disclosed
EP-0823900-A1 QUINAZOLINE DERIVATIVES ZENECA LIMITED (GB) 1998-02-18 EP disclosed
WO-1996033980-A1 QUINAZOLINE DERIVATIVES ZENECA LIMITED (GB) 1996-10-31 WO disclosed