SCHEMBL5652597

SCHEMBL5652597

COc1cc2c(Nc3cnc(NC(=O)c4ccccc4)nc3)ncnc2cc1OC[C@@H]1CO1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 9/20 0.69
AURKB Q96GD4 7/20 0.69
EGFR P00533 7/20 0.62
MAPK14 Q16539 5/20 0.62
IRAK4 Q9NWZ3 1/20 0.61
KDR P35968 3/20 0.57
ROCK2 O75116 1/20 0.57
ALDH1A1 P00352 1/20 0.57
LCK P06239 1/20 0.57
FYN P06241 1/20 0.57
RET P07949 1/20 0.57
MET P08581 1/20 0.57
MAPT P10636 1/20 0.57
SRC P12931 1/20 0.57
PDGFRA P16234 1/20 0.57
LTK P29376 1/20 0.57
TTK P33981 1/20 0.57
MAP2K2 P36507 1/20 0.57
MAP2K1 Q02750 1/20 0.57
BTK Q06187 1/20 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
SCHEMBL5651175 0.92 AURKA (0.60) AURKAAURKBEGFRKDR
SCHEMBL5653702 0.91 AURKA (0.71) AURKAAURKBEGFRMAPK14KDR
SCHEMBL10152557 0.87 AURKA (0.69) AURKAAURKBEGFRMAPK14IRAK4
Hydrochloric Acid SCHEMBL5652341 0.86 AURKA (0.69) AURKAAURKBEGFRMAPK14IRAK4
Hydrochloric Acid SCHEMBL2063014 0.86 AURKA (0.69) AURKAAURKBEGFRMAPK14IRAK4
SCHEMBL5650637 0.85 AURKA (0.72) AURKAAURKBEGFRMAPK14IRAK4
SCHEMBL5649428 0.85 AURKA (0.75) AURKAAURKBEGFRMAPK14IRAK4
SCHEMBL5652138 0.85 AURKA (0.68) AURKAAURKBEGFRMAPK14IRAK4
SCHEMBL5652140 0.85 AURKA (0.68) AURKAAURKBEGFRMAPK14IRAK4
SCHEMBL5651730 0.83 AURKB (0.81) AURKAAURKBEGFRMAPK14IRAK4

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