SCHEMBL7760716

SCHEMBL7760716

CC(C)OCC(=O)Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.70
AURKB Q96GD4 1/20 0.67
ERBB2 P04626 9/20 0.64
ERBB4 Q15303 6/20 0.63
HDAC3 O15379 2/20 0.59
HDAC4 P56524 2/20 0.59
HDAC1 Q13547 2/20 0.59
HDAC7 Q8WUI4 2/20 0.59
HDAC2 Q92769 2/20 0.59
HDAC10 Q969S8 2/20 0.59
HDAC11 Q96DB2 2/20 0.59
HDAC8 Q9BY41 2/20 0.59
HDAC6 Q9UBN7 2/20 0.59
HDAC9 Q9UKV0 2/20 0.59
HDAC5 Q9UQL6 2/20 0.59

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
SCHEMBL27819297 0.83 EGFR (0.74) EGFRAURKBERBB2ERBB4HDAC3
SCHEMBL7764438 0.83 EGFR (0.62) EGFRAURKBERBB2ERBB4HDAC3
SCHEMBL2248477 0.83 EGFR (0.77) EGFRAURKBERBB2ERBB4HDAC3
SCHEMBL2255586 0.82 EGFR (0.74) EGFRAURKBERBB2ERBB4HDAC3
SCHEMBL16693868 0.81 EGFR (0.67) EGFRAURKBERBB2ERBB4HDAC3
SCHEMBL2250814 0.80 EGFR (0.68) EGFRAURKBERBB2ERBB4HDAC3
SCHEMBL6186109 0.80 EGFR (0.71) EGFRAURKBERBB2ERBB4HDAC3
SCHEMBL6188789 0.79 EGFR (0.80) EGFRAURKBERBB2ERBB4HDAC3
SCHEMBL2245963 0.79 EGFR (0.66) EGFRAURKBERBB2ERBB4HDAC3
SCHEMBL5497185 0.79 EGFR (0.72) EGFRAURKBERBB2ERBB4HDAC3

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-0824527-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2001-06-13 EP disclosed
US-5942514-A TYROSINE KINASE INHIBITORS ZENECA LIMITED (GB) 1999-08-24 US disclosed
EP-0824527-A1 QUINAZOLINE DERIVATIVES ZENECA LIMITED (GB) 1998-02-25 EP disclosed
WO-1996033979-A1 QUINAZOLINE DERIVATIVES ZENECA LIMITED (GB) 1996-10-31 WO disclosed