SCHEMBL5652035

SCHEMBL5652035

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

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AURKA O14965 5/20 0.68
AURKB Q96GD4 4/20 0.68
KDR P35968 12/20 0.60
FLT1 P17948 1/20 0.59
EGFR P00533 4/20 0.57
MAPK14 Q16539 2/20 0.57

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
SCHEMBL5649152 0.91 AURKA (0.69) AURKAAURKBKDREGFRMAPK14
SCHEMBL5651730 0.90 AURKB (0.81) AURKAAURKBKDREGFRMAPK14
SCHEMBL5023544 0.90 AURKA (0.67) AURKAAURKBKDREGFRMAPK14
SCHEMBL5016550 0.90 KDR (0.74) AURKAAURKBKDREGFRMAPK14
Hydrochloric Acid SCHEMBL2463942 0.90 AURKB (0.80) AURKAAURKBKDREGFRMAPK14
SCHEMBL5653207 0.86 AURKA (0.63) AURKAAURKBKDREGFR
SCHEMBL5651656 0.85 EGFR (0.65) AURKAAURKBKDREGFRMAPK14
SCHEMBL5651175 0.84 AURKA (0.60) AURKAAURKBKDREGFR
SCHEMBL5023471 0.81 KDR (0.74) AURKAAURKBKDRFLT1EGFR
SCHEMBL5242610 0.80 KDR (0.81) AURKAAURKBKDRFLT1EGFR

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