SCHEMBL4032799

SCHEMBL4032799

OC1CCN(CCCOc2cc(OC3CCOC3)c3c(Nc4ccc(F)c(Cl)c4)ncnc3c2)C1

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.74
SRC P12931 6/20 0.60
KDR P35968 6/20 0.60
ERBB2 P04626 1/20 0.53
RET P07949 1/20 0.53
MST1R Q04912 1/20 0.53
ERBB4 Q15303 1/20 0.53
LCK P06239 1/20 0.52
YES1 P07947 1/20 0.52
FGFR1 P11362 1/20 0.52
CSK P41240 1/20 0.52
AURKB Q96GD4 1/20 0.52

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
SCHEMBL4040484 0.97 EGFR (0.69) EGFRSRCKDRERBB2RET
SCHEMBL5662033 0.96 EGFR (0.78) EGFRSRCKDRERBB2RET
SCHEMBL4036074 0.96 EGFR (0.81) EGFRSRCKDRLCKYES1
SCHEMBL4033940 0.91 EGFR (0.81) EGFRSRCKDRERBB2RET
SCHEMBL4040743 0.91 EGFR (0.84) EGFRSRCKDRERBB2RET
SCHEMBL4032976 0.90 EGFR (0.85) EGFRSRCKDRERBB2RET
SCHEMBL4037402 0.90 EGFR (0.80) EGFRSRCKDRERBB2RET
SCHEMBL4034224 0.90 EGFR (0.80) EGFRSRCKDRERBB2RET
SCHEMBL4034753 0.90 EGFR (0.73) EGFRSRCKDRLCKYES1
SCHEMBL4031839 0.90 EGFR (0.75) EGFRSRCKDRERBB2

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