SCHEMBL5652215

SCHEMBL5652215

COc1cc2c(Nc3cnc(NC(=O)c4ccccc4)nc3)ncnc2cc1OC(=O)C(F)(F)F

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ AURKB Q96GD4 7/20 0.66
▸ AURKA O14965 4/20 0.66
▸ MAPK14 Q16539 8/20 0.64
▸ EGFR P00533 6/20 0.64
▸ KDR P35968 4/20 0.60
▸ IRAK4 Q9NWZ3 1/20 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
SCHEMBL3527097 0.90 AURKB (0.82) AURKBAURKAMAPK14EGFRKDR
SCHEMBL10152557 0.85 AURKA (0.69) AURKBAURKAMAPK14EGFRKDR
SCHEMBL5651730 0.85 AURKB (0.81) AURKBAURKAMAPK14EGFRKDR
Hydrochloric Acid SCHEMBL2063014 0.84 AURKA (0.69) AURKBAURKAMAPK14EGFRKDR
Hydrochloric Acid SCHEMBL5652341 0.84 AURKA (0.69) AURKBAURKAMAPK14EGFRKDR
Hydrochloric Acid SCHEMBL2463942 0.84 AURKB (0.80) AURKBAURKAMAPK14EGFRKDR
SCHEMBL5650637 0.83 AURKA (0.72) AURKBAURKAMAPK14EGFRKDR
SCHEMBL5649428 0.83 AURKA (0.75) AURKBAURKAMAPK14EGFRKDR
SCHEMBL5655354 0.82 EGFR (0.65) AURKBAURKAMAPK14EGFRKDR
SCHEMBL5652597 0.81 AURKA (0.69) AURKBAURKAMAPK14EGFRKDR

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
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