SCHEMBL5649152

SCHEMBL5649152

COc1cc2c(Nc3cnc(NC(=O)c4ccc(F)cc4)nc3)ncnc2cc1O

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AURKA O14965 6/20 0.69
AURKB Q96GD4 4/20 0.69
KDR P35968 9/20 0.61
EGFR P00533 3/20 0.60
RAF1 P04049 1/20 0.56
BRAF P15056 1/20 0.56
MAPK14 Q16539 1/20 0.55

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
SCHEMBL5652035 0.91 AURKA (0.68) AURKAAURKBKDREGFRMAPK14
SCHEMBL5651730 0.91 AURKB (0.81) AURKAAURKBKDREGFRMAPK14
Hydrochloric Acid SCHEMBL2463942 0.90 AURKB (0.80) AURKAAURKBKDREGFRMAPK14
SCHEMBL5023544 0.89 AURKA (0.67) AURKAAURKBKDREGFRRAF1
SCHEMBL5016550 0.85 KDR (0.74) AURKAAURKBKDREGFRRAF1
SCHEMBL5655354 0.85 EGFR (0.65) AURKAAURKBKDREGFRMAPK14
SCHEMBL14964757 0.81 EGFR (0.81) KDREGFRRAF1BRAF
SCHEMBL3531809 0.81 AURKB (1.00) AURKAAURKBKDREGFRMAPK14
SCHEMBL6689820 0.79 AURKB (0.73) AURKAAURKBKDREGFR
SCHEMBL10152557 0.79 AURKA (0.69) AURKAAURKBKDREGFRMAPK14

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