SCHEMBL5653702

SCHEMBL5653702

COc1cc2c(Nc3cnc(NC(=O)c4cccc(Cl)c4)nc3)ncnc2cc1OC[C@@H]1CO1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 8/20 0.71
KDR P35968 7/20 0.67
EGFR P00533 5/20 0.60
AURKB Q96GD4 2/20 0.59
EPHA2 P29317 3/20 0.58
MAPK14 Q16539 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
GMNN O75496 1/20 0.53
ALDH1A1 P00352 1/20 0.53
ABL1 P00519 1/20 0.53
LMNA P02545 1/20 0.53
RAF1 P04049 1/20 0.53
TP53 P04637 1/20 0.53
CYP1A2 P05177 1/20 0.53
GLA P06280 1/20 0.53
CYP3A4 P08684 1/20 0.53
FBP1 P09467 1/20 0.53
CYP2D6 P10635 1/20 0.53
MAPT P10636 1/20 0.53

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
SCHEMBL5651175 0.91 AURKA (0.60) AURKAKDREGFRAURKBEPHA2
SCHEMBL5652597 0.91 AURKA (0.69) AURKAKDREGFRAURKBMAPK14
SCHEMBL5650776 0.87 AURKA (0.71) AURKAKDREGFRAURKBMAPK14
SCHEMBL5023489 0.87 AURKA (0.78) AURKAKDREGFRAURKBMAPK14
SCHEMBL5091097 0.86 AURKA (0.70) AURKAKDREGFRAURKBMAPK14
SCHEMBL5016550 0.84 KDR (0.74) AURKAKDREGFRAURKBMAPK14
SCHEMBL5016557 0.84 AURKA (0.74) AURKAKDREGFRAURKBMAPK14
SCHEMBL5016571 0.83 AURKA (0.66) AURKAKDREGFRAURKBMAPK14
SCHEMBL5091131 0.80 AURKA (0.69) AURKAKDREGFRAURKBFBP1
SCHEMBL5025360 0.79 AURKA (0.67) AURKAKDREGFRAURKB

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