SCHEMBL5652477

SCHEMBL5652477

COc1cc2c(Nc3cnc(N)nc3)ncnc2cc1OCCCN1CCOCC1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 7/20 0.78
KDR P35968 6/20 0.78
EGFR P00533 7/20 0.75
EPHB4 P54760 2/20 0.72
BRAF P15056 2/20 0.72
LCK P06239 2/20 0.72
RET P07949 2/20 0.72
MET P08581 2/20 0.72
MAPT P10636 2/20 0.72
LTK P29376 2/20 0.72
TNK2 Q07912 2/20 0.72
MAP4K5 Q9Y4K4 2/20 0.72
CIT O14578 1/20 0.72
GAK O14976 1/20 0.72
EPHB6 O15197 1/20 0.72
ABCC4 O15439 1/20 0.72
DAPK3 O43293 1/20 0.72
RIPK2 O43353 1/20 0.72
NR1I2 O75469 1/20 0.72
RPS6KA4 O75676 1/20 0.72

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
SCHEMBL3531151 0.90 SRC (0.86) SRCKDREGFREPHB4BRAF
SCHEMBL5653890 0.88 AURKA (0.75) SRCKDREGFREPHB4BRAF
SCHEMBL28424819 0.87 SRC (0.85) SRCKDREGFREPHB4BRAF
SCHEMBL13529060 0.87 SRC (0.84) SRCKDREGFREPHB4BRAF
SCHEMBL22667930 0.87 EGFR (0.82) SRCKDREGFREPHB4BRAF
SCHEMBL5651634 0.87 SRC (0.72) SRCKDREGFREPHB4BRAF
SCHEMBL19154598 0.86 SRC (0.80) SRCKDREGFREPHB4BRAF
SCHEMBL11304 0.86 EGFR (0.86) SRCKDREGFREPHB4BRAF
SCHEMBL22383954 0.86 EGFR (0.86) SRCKDREGFREPHB4BRAF
SCHEMBL30416288 0.86 EGFR (0.86) SRCKDREGFREPHB4BRAF

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