SCHEMBL5651656

SCHEMBL5651656

COc1cc2c(Nc3cnc(NC(=O)c4ccc(Cl)cc4)nc3)ncnc2cc1OCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.65
AURKA O14965 7/20 0.63
AURKB Q96GD4 5/20 0.63
MAPK14 Q16539 3/20 0.60
IRAK4 Q9NWZ3 1/20 0.59
KDR P35968 4/20 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
SCHEMBL10152557 0.94 AURKA (0.69) EGFRAURKAAURKBMAPK14IRAK4
Hydrochloric Acid SCHEMBL2063014 0.93 AURKA (0.69) EGFRAURKAAURKBMAPK14IRAK4
Hydrochloric Acid SCHEMBL5652341 0.93 AURKA (0.69) EGFRAURKAAURKBMAPK14IRAK4
SCHEMBL5655354 0.92 EGFR (0.65) EGFRAURKAAURKBMAPK14IRAK4
SCHEMBL5650776 0.92 AURKA (0.71) EGFRAURKAAURKBMAPK14IRAK4
SCHEMBL5016618 0.91 AURKA (0.69) EGFRAURKAAURKBMAPK14KDR
SCHEMBL5653207 0.87 AURKA (0.63) EGFRAURKAAURKBIRAK4KDR
SCHEMBL5649428 0.85 AURKA (0.75) EGFRAURKAAURKBMAPK14IRAK4
SCHEMBL5651175 0.85 AURKA (0.60) EGFRAURKAAURKBKDR
SCHEMBL5652035 0.85 AURKA (0.68) EGFRAURKAAURKBMAPK14KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7235559-B1 Therapeutic quinazoline derivatives ASTRAZENECA AB (SE) 2007-06-26 US disclosed
EP-1218355-A1 THERAPEUTIC QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2002-07-03 EP disclosed
WO-2001021597-A1 THERAPEUTIC QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2001-03-29 WO disclosed