SCHEMBL4036865

SCHEMBL4036865

COc1cc(OC2CCN(CI)CC2)c2c(Cl)ncnc2c1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SRC P12931 14/20 0.52
EGFR P00533 6/20 0.49
KDR P35968 10/20 0.46

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
SCHEMBL3282184 0.86 SRC (0.66) SRCEGFRKDR
SCHEMBL1012776 0.81 EGFR (0.62) SRCEGFRKDR
SCHEMBL3281890 0.78 EGFR (0.52) SRCEGFRKDR
SCHEMBL1803647 0.74 SRC (0.56) SRCEGFR
SCHEMBL30353909 0.74 SRC (0.56) SRCEGFR
SCHEMBL3274806 0.74 SRC (0.54) SRCEGFRKDR
SCHEMBL3274950 0.73 HTR2C (0.53) SRCEGFRKDR
SCHEMBL30988686 0.73 SRC (0.60) SRCEGFRKDR
SCHEMBL3182426 0.72 ENPP1 (0.44) SRCEGFRKDR
SCHEMBL1810090 0.72 ENPP1 (0.55) SRCEGFR

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