SCHEMBL4040484

SCHEMBL4040484

OC1CCN(CCOc2cc(OC3CCOC3)c3c(Nc4ccc(F)c(Cl)c4)ncnc3c2)C1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.69
SRC P12931 2/20 0.55
KDR P35968 1/20 0.55
ERBB2 P04626 1/20 0.53
RET P07949 1/20 0.53
MST1R Q04912 1/20 0.53
ERBB4 Q15303 1/20 0.53

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
SCHEMBL4032799 0.97 EGFR (0.74) EGFRSRCKDRERBB2RET
SCHEMBL5662033 0.92 EGFR (0.78) EGFRSRCKDRERBB2RET
SCHEMBL4036074 0.92 EGFR (0.81) EGFRSRCKDR
SCHEMBL4040837 0.91 EGFR (0.75) EGFRSRCKDRERBB2RET
SCHEMBL4033595 0.91 EGFR (0.78) EGFRSRCKDRERBB2RET
SCHEMBL4216859 0.91 EGFR (0.65) EGFRSRCKDRERBB2
SCHEMBL4032525 0.90 EGFR (0.74) EGFRSRCKDRERBB2RET
SCHEMBL4040632 0.90 EGFR (0.74) EGFRSRCKDRERBB2RET
SCHEMBL4042007 0.89 EGFR (0.85) EGFRSRCKDRRET
SCHEMBL4041152 0.89 EGFR (0.73) EGFRSRCKDRERBB2RET

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