SCHEMBL4036399

SCHEMBL4036399

Fc1ccc(Nc2ncnc3cc(OCCCN4CCN(CCN5CCOCC5)CC4)cc(OC4CCOCC4)c23)cc1Cl

nearest known ligand 0.91

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.91
SRC P12931 12/20 0.69
KDR P35968 11/20 0.69
LCK P06239 2/20 0.62
YES1 P07947 1/20 0.62
FGFR1 P11362 1/20 0.62
CSK P41240 1/20 0.62
AURKB Q96GD4 1/20 0.62
CIT O14578 1/20 0.59
GAK O14976 1/20 0.59
EPHB6 O15197 1/20 0.59
ABCC4 O15439 1/20 0.59
DAPK3 O43293 1/20 0.59
RIPK2 O43353 1/20 0.59
NR1I2 O75469 1/20 0.59
RPS6KA4 O75676 1/20 0.59
STK17B O94768 1/20 0.59
STK10 O94804 1/20 0.59
PRKD3 O94806 1/20 0.59
ABCB11 O95342 1/20 0.59

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
SCHEMBL4036758 0.99 EGFR (0.90) EGFRSRCKDRLCKYES1
SCHEMBL4032976 0.96 EGFR (0.85) EGFRSRCKDRLCKYES1
SCHEMBL4037159 0.96 EGFR (0.85) EGFRSRCKDRLCKYES1
SCHEMBL4035349 0.96 EGFR (0.85) EGFRSRCKDRLCKYES1
SCHEMBL4035967 0.95 EGFR (1.00) EGFRSRCKDRLCKYES1
SCHEMBL4040743 0.95 EGFR (0.84) EGFRSRCKDRLCKYES1
SCHEMBL4034487 0.95 EGFR (0.89) EGFRSRCKDRLCKYES1
SCHEMBL4041510 0.95 EGFR (0.84) EGFRSRCKDRLCKYES1
SCHEMBL4034410 0.95 EGFR (0.88) EGFRSRCKDRLCKYES1
SCHEMBL4037284 0.94 EGFR (0.89) EGFRSRCKDRLCKYES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1444211-B1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2009-01-21 EP disclosed