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SCHEMBL6163604

SCHEMBL6163604

COc1cc2ncnc(Nc3ccc(/C=C/C(=O)Nc4ccccc4C)cc3)c2cc1OC

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 13/20 0.64
▸ ABCG2 Q9UNQ0 3/20 0.61
▸ EGFR P00533 9/20 0.61
▸ MAPK14 Q16539 2/20 0.61
▸ HDAC3 O15379 1/20 0.61
▸ HDAC1 Q13547 1/20 0.61
▸ HDAC6 Q9UBN7 1/20 0.61
▸ AURKA O14965 1/20 0.59
▸ AURKB Q96GD4 1/20 0.59
▸ ABCB1 P08183 2/20 0.58

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
SCHEMBL6165277 1.00 KDR (0.64) KDRABCG2EGFRMAPK14HDAC3
SCHEMBL6163282 0.93 ABCG2 (0.64) KDRABCG2EGFRHDAC3HDAC1
SCHEMBL6165229 0.93 ABCG2 (0.64) KDRABCG2EGFRHDAC3HDAC1
SCHEMBL6167032 0.92 HDAC3 (0.57) KDRABCG2EGFRMAPK14HDAC3
SCHEMBL6163054 0.92 HDAC3 (0.57) KDRABCG2EGFRMAPK14HDAC3
SCHEMBL6162947 0.89 KDR (0.74) KDRABCG2EGFRHDAC3HDAC1
SCHEMBL6162938 0.89 KDR (0.74) KDRABCG2EGFRHDAC3HDAC1
SCHEMBL6163496 0.87 KDR (0.70) KDRABCG2EGFRHDAC3HDAC1
SCHEMBL6166357 0.87 KDR (0.70) KDRABCG2EGFRHDAC3HDAC1
SCHEMBL6163276 0.86 HDAC1 (0.72) KDREGFRHDAC3HDAC1HDAC6

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-1218357-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2005-04-06 — — EP claimed