SCHEMBL5651175

SCHEMBL5651175

COc1cc2c(Nc3cnc(NC(=O)c4ccc(Cl)cc4)nc3)ncnc2cc1OC[C@H]1CO1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AURKA O14965 8/20 0.60
AURKB Q96GD4 1/20 0.59
KDR P35968 11/20 0.58
EGFR P00533 2/20 0.58
EPHA2 P29317 3/20 0.54
EPHB4 P54760 1/20 0.54

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
SCHEMBL5652597 0.92 AURKA (0.69) AURKAAURKBKDREGFR
SCHEMBL5653702 0.91 AURKA (0.71) AURKAAURKBKDREGFREPHA2
SCHEMBL5653207 0.86 AURKA (0.63) AURKAAURKBKDREGFR
SCHEMBL5651656 0.85 EGFR (0.65) AURKAAURKBKDREGFR
SCHEMBL5652035 0.84 AURKA (0.68) AURKAAURKBKDREGFR
SCHEMBL5091131 0.82 AURKA (0.69) AURKAAURKBKDREGFREPHB4
SCHEMBL5091126 0.81 AURKA (0.68) AURKAAURKBKDREGFREPHB4
SCHEMBL5022873 0.81 AURKA (0.67) AURKAAURKBKDREGFREPHB4
SCHEMBL5649428 0.79 AURKA (0.75) AURKAAURKBKDREGFR
SCHEMBL5016588 0.79 AURKA (0.65) AURKAAURKBKDREGFREPHB4

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