SCHEMBL7850993

SCHEMBL7850993

COc1cc2c(Nc3ccc4cn[nH]c4c3)c(C#N)cnc2cc1OC(CN1CCc2ccccc2C1)N1CCc2ccccc2C1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SRC P12931 8/20 0.48
MAP2K1 Q02750 6/20 0.47
EGFR P00533 7/20 0.46
ERBB2 P04626 7/20 0.46
RAF1 P04049 2/20 0.45

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
SCHEMBL4451210 0.87 SRC (0.59) SRCMAP2K1EGFRERBB2RAF1
SCHEMBL4443460 0.80 EGFR (0.71) SRCMAP2K1EGFRERBB2
SCHEMBL4453726 0.79 SRC (0.66) SRCMAP2K1EGFRERBB2RAF1
SCHEMBL2200378 0.77 EGFR (0.66) SRCMAP2K1EGFRERBB2
SCHEMBL2203629 0.77 EGFR (0.66) SRCMAP2K1EGFRERBB2
SCHEMBL4447122 0.76 MAP2K1 (0.70) SRCMAP2K1EGFRERBB2RAF1
SCHEMBL4454949 0.76 SRC (0.59) SRCMAP2K1EGFRERBB2RAF1
SCHEMBL4450583 0.75 MAP2K1 (0.75) SRCMAP2K1EGFRERBB2RAF1
SCHEMBL2206555 0.75 MAP2K1 (0.75) SRCMAP2K1EGFRERBB2RAF1
SCHEMBL4445590 0.75 EGFR (0.61) SRCMAP2K1EGFRERBB2

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
EP-1117659-A1 SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS American Cyanamid Company (US) 2001-07-25 EP disclosed
WO-2000018761-A1 SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-04-06 WO disclosed