SCHEMBL4356776

SCHEMBL4356776

Fc1ccc(Nc2ncnc3cc(-c4ccco4)ccc23)cc1Cl

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 13/20 0.63
FBP1 P09467 2/20 0.54
AURKB Q96GD4 2/20 0.54
ERBB2 P04626 2/20 0.54
AURKA O14965 1/20 0.54
INSR P06213 1/20 0.54
PDGFRB P09619 1/20 0.54
FLT4 P35916 1/20 0.54
KDR P35968 1/20 0.54
CLK1 P49759 1/20 0.54
EPHB4 P54760 1/20 0.54
TEK Q02763 1/20 0.54
GRM1 Q13255 1/20 0.53
CD38 P28907 1/20 0.52
ERBB4 Q15303 1/20 0.50
RAF1 P04049 1/20 0.49
BRAF P15056 1/20 0.49

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
SCHEMBL6186396 0.92 EGFR (0.64) EGFRFBP1AURKBERBB2AURKA
SCHEMBL4364048 0.82 MEN1 (0.61) EGFRFBP1AURKBERBB2AURKA
SCHEMBL8214029 0.80 EGFR (0.71) EGFRFBP1AURKBERBB2AURKA
SCHEMBL27459248 0.78 EGFR (0.66) EGFRFBP1AURKBERBB2AURKA
SCHEMBL30301821 0.78 EGFR (1.00) EGFRFBP1AURKBERBB2AURKA
SCHEMBL1734685 0.78 EGFR (1.00) EGFRFBP1AURKBERBB2AURKA
SCHEMBL4352896 0.77 EGFR (0.61) EGFRFBP1AURKBERBB2AURKA
SCHEMBL28119911 0.77 EGFR (0.70) EGFRFBP1AURKBERBB2AURKA
SCHEMBL4364036 0.77 EGFR (0.60) EGFRFBP1AURKBERBB2AURKA
SCHEMBL28403915 0.76 EGFR (0.74) EGFRFBP1AURKBERBB2AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009070328-A1 MODULATORS OF THE EPIDERMAL GROWTH FACTOR RECEPTOR (EGFR) PATHWAY FOR USE IN THE TREATMENT OR PREVENTION OF SUBSTANCE ABUSE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-06-04 WO disclosed
EP-0880517-B1 QUINAZOLINE COMPOUNDS ASTRAZENECA AB (SE) 2002-01-16 EP disclosed
EP-0880517-A1 QUINAZOLINE COMPOUNDS ZENECA LIMITED (GB) 1998-12-02 EP disclosed
US-5814630-A USEFUL AS RECEPTOR TYROSINE KINASE INHIBITORS IN THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER ZENECA LIMITED (GB) 1998-09-29 US disclosed
WO-1997030044-A1 QUINAZOLINE COMPOUNDS ZENECA LIMITED (GB) 1997-08-21 WO disclosed