SCHEMBL7065339

SCHEMBL7065339

COc1cc2ncc(C#N)c(Nc3ccc(Cc4ccccc4)c4c3OCO4)c2cc1OC

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 5/20 0.65
SRC P12931 12/20 0.59
EGFR P00533 4/20 0.58
ERBB2 P04626 4/20 0.58
ABL1 P00519 2/20 0.55
BCR P11274 2/20 0.55
RAF1 P04049 1/20 0.54

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
SCHEMBL4498795 0.86 SRC (0.63) MAP2K1SRCEGFRERBB2ABL1
SCHEMBL7071162 0.86 SRC (0.59) SRCEGFRERBB2ABL1BCR
SCHEMBL5723486 0.86 SRC (0.56) SRCEGFRERBB2ABL1BCR
SCHEMBL4495250 0.83 SRC (0.60) SRCEGFRERBB2ABL1BCR
SCHEMBL4498460 0.83 SRC (0.66) SRCEGFRERBB2ABL1BCR
SCHEMBL4487269 0.83 SRC (0.53) MAP2K1SRCEGFRERBB2ABL1
SCHEMBL4496968 0.82 MAP2K1 (0.59) MAP2K1SRCEGFRERBB2ABL1
SCHEMBL5452058 0.81 SRC (0.55) SRCEGFRERBB2ABL1BCR
SCHEMBL4487359 0.81 SRC (0.57) SRCEGFRERBB2ABL1BCR
SCHEMBL4487506 0.81 SRC (0.60) SRCEGFRERBB2ABL1BCR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003047582-A1 QUINOLINE DERIVATIVES AS ANTITUMOUR AGENTS ASTRAZENECA AB (SE) 2003-06-12 WO claimed
WO-2003047582-A1 QUINOLINE DERIVATIVES AS ANTITUMOUR AGENTS ASTRAZENECA AB (SE) 2003-06-12 WO disclosed