SCHEMBL5653890

SCHEMBL5653890

COc1cc2c(Nc3cnc(C(=O)O)nc3)ncnc2cc1OCCCN1CCOCC1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 11/20 0.75
AURKB Q96GD4 3/20 0.75
SRC P12931 6/20 0.71
KDR P35968 6/20 0.71
EGFR P00533 6/20 0.71
LCK P06239 2/20 0.71
RET P07949 2/20 0.71
MET P08581 2/20 0.71
MAPT P10636 2/20 0.71
LTK P29376 2/20 0.71
TNK2 Q07912 2/20 0.71
MAP4K5 Q9Y4K4 2/20 0.71
ROCK2 O75116 1/20 0.71
ALDH1A1 P00352 1/20 0.71
FYN P06241 1/20 0.71
PDGFRA P16234 1/20 0.71
TTK P33981 1/20 0.71
MAP2K2 P36507 1/20 0.71
MAP2K1 Q02750 1/20 0.71
BTK Q06187 1/20 0.71

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
SCHEMBL5652477 0.88 SRC (0.78) AURKAAURKBSRCKDREGFR
Hydrochloric Acid SCHEMBL3535974 0.87 EGFR (0.80) AURKAAURKBSRCKDREGFR
SCHEMBL14421314 0.87 SRC (0.69) AURKAAURKBSRCKDREGFR
SCHEMBL14421400 0.86 SRC (0.68) AURKAAURKBSRCKDREGFR
SCHEMBL13529060 0.86 SRC (0.84) AURKAAURKBSRCKDREGFR
SCHEMBL5025330 0.85 AURKA (0.81) AURKAAURKBSRCKDREGFR
SCHEMBL6704281 0.85 EGFR (0.80) AURKAAURKBSRCKDREGFR
SCHEMBL5025344 0.84 AURKA (0.64) AURKAAURKBSRCKDREGFR
SCHEMBL28424819 0.84 SRC (0.85) AURKAAURKBSRCKDREGFR
SCHEMBL14421317 0.83 SRC (0.69) AURKAAURKBSRCKDREGFR

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