SCHEMBL4036387

SCHEMBL4036387

CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4ccc(F)c(Cl)c4)ncnc3c2)CC1

nearest known ligand 0.93

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.93
SRC P12931 10/20 0.69
KDR P35968 7/20 0.68
BMPR1B O00238 1/20 0.68
GAK O14976 1/20 0.68
EPHB6 O15197 1/20 0.68
RIPK2 O43353 1/20 0.68
STK10 O94804 1/20 0.68
MAP4K4 O95819 1/20 0.68
ABL1 P00519 1/20 0.68
LCK P06239 1/20 0.68
FYN P06241 1/20 0.68
YES1 P07947 1/20 0.68
LYN P07948 1/20 0.68
RET P07949 1/20 0.68
HCK P08631 1/20 0.68
PDGFRB P09619 1/20 0.68
FGR P09769 1/20 0.68
KIT P10721 1/20 0.68
BCR P11274 1/20 0.68

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
SCHEMBL4036550 0.97 EGFR (0.88) EGFRSRCKDRBMPR1BGAK
SCHEMBL4035967 0.96 EGFR (1.00) EGFRSRCKDRBMPR1BGAK
SCHEMBL4042007 0.96 EGFR (0.85) EGFRSRCKDRBMPR1BGAK
SCHEMBL4035349 0.95 EGFR (0.85) EGFRSRCKDRBMPR1BGAK
SCHEMBL4037393 0.95 EGFR (0.84) EGFRSRCKDRBMPR1BGAK
SCHEMBL4033500 0.95 EGFR (0.84) EGFRSRCKDRBMPR1BGAK
SCHEMBL4032531 0.94 EGFR (0.83) EGFRSRCKDRBMPR1BGAK
SCHEMBL4035070 0.94 EGFR (0.82) EGFRSRCKDRBMPR1BGAK
SCHEMBL4036496 0.94 EGFR (0.82) EGFRSRCKDRBMPR1BGAK
SCHEMBL4034228 0.94 EGFR (0.94) EGFRSRCKDRBMPR1BGAK

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