SCHEMBL3531151

SCHEMBL3531151

COc1cc2c(Nc3ccc(N)cc3)ncnc2cc1OCCCN1CCOCC1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 7/20 0.86
EGFR P00533 11/20 0.79
KDR P35968 8/20 0.76
LCK P06239 2/20 0.75
RET P07949 2/20 0.75
MET P08581 2/20 0.75
MAPT P10636 2/20 0.75
LTK P29376 2/20 0.75
TNK2 Q07912 2/20 0.75
MAP4K5 Q9Y4K4 2/20 0.75
EPHB4 P54760 2/20 0.75
CIT O14578 1/20 0.75
GAK O14976 1/20 0.75
EPHB6 O15197 1/20 0.75
ABCC4 O15439 1/20 0.75
DAPK3 O43293 1/20 0.75
RIPK2 O43353 1/20 0.75
NR1I2 O75469 1/20 0.75
RPS6KA4 O75676 1/20 0.75
STK17B O94768 1/20 0.75

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
SCHEMBL28424819 0.92 SRC (0.85) SRCEGFRKDRLCKRET
SCHEMBL13529060 0.92 SRC (0.84) SRCEGFRKDRLCKRET
SCHEMBL5652477 0.90 SRC (0.78) SRCEGFRKDRLCKRET
SCHEMBL22667930 0.90 EGFR (0.82) SRCEGFRKDRLCKRET
SCHEMBL5651634 0.89 SRC (0.72) SRCEGFRKDRLCKRET
SCHEMBL19154598 0.89 SRC (0.80) SRCEGFRKDRLCKRET
SCHEMBL6692082 0.89 SRC (0.79) SRCEGFRKDRLCKRET
SCHEMBL6704281 0.89 EGFR (0.80) SRCEGFRKDRLCKRET
SCHEMBL22383954 0.88 EGFR (0.86) SRCEGFRKDRLCKRET
SCHEMBL11304 0.88 EGFR (0.86) SRCEGFRKDRLCKRET

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-7709479-B1 Quinazoline derivatives and their use as pharmaceuticals ASTRAZENECA (SE) 2010-05-04 US disclosed
EP-1218354-A1 QUINAZOLINE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS AstraZeneca AB (SE) 2002-07-03 EP disclosed
WO-2001021596-A1 QUINAZOLINE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS ASTRAZENECA AB (SE) 2001-03-29 WO disclosed