SCHEMBL14216857

SCHEMBL14216857

COc1cc2c(Nc3ncc[nH]3)ncnc2cc1OCCCN1CCOCC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 12/20 0.70
AURKA O14965 2/20 0.68
KDR P35968 7/20 0.67
EGFR P00533 6/20 0.67
FLT4 P35916 2/20 0.64
CIT O14578 1/20 0.64
GAK O14976 1/20 0.64
EPHB6 O15197 1/20 0.64
ABCC4 O15439 1/20 0.64
DAPK3 O43293 1/20 0.64
RIPK2 O43353 1/20 0.64
NR1I2 O75469 1/20 0.64
RPS6KA4 O75676 1/20 0.64
STK17B O94768 1/20 0.64
STK10 O94804 1/20 0.64
PRKD3 O94806 1/20 0.64
ABCB11 O95342 1/20 0.64
MAP4K4 O95819 1/20 0.64
CHEK2 O96017 1/20 0.64
ABL1 P00519 1/20 0.64

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
SCHEMBL28350751 0.86 SRC (0.77) SRCAURKAKDREGFRKDM4E
SCHEMBL28354322 0.85 SRC (0.73) SRCAURKAKDREGFRFLT4
SCHEMBL28350783 0.85 SRC (0.73) SRCAURKAKDREGFRFLT4
SCHEMBL13529060 0.83 SRC (0.84) SRCAURKAKDREGFRFLT4
SCHEMBL28354676 0.83 SRC (0.77) SRCAURKAKDREGFRFLT4
SCHEMBL28882352 0.83 SRC (0.77) SRCAURKAKDREGFRFLT4
Hydrochloric Acid SCHEMBL4379495 0.83 SRC (0.74) SRCAURKAKDREGFRFLT4
SCHEMBL3531151 0.83 SRC (0.86) SRCAURKAKDREGFRFLT4
SCHEMBL14421402 0.82 AURKA (0.64) SRCAURKAKDREGFRLCK
SCHEMBL5025344 0.82 AURKA (0.64) SRCAURKAKDREGFRLCK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1299381-B1 SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS INHIBITORS ASTRAZENECA AB (SE) 2008-05-07 EP disclosed
WO-2002000649-A9 SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS INHIBITORS ASTRAZENECA AB (SE) 2007-09-20 WO disclosed