SCHEMBL14048142

SCHEMBL14048142

CCOc1cc2ncc(C#N)c(C)c2cc1NC(C)=O

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
STK4 Q13043 12/20 0.70
STK3 Q13188 2/20 0.53
EGFR P00533 7/20 0.51
ERBB2 P04626 2/20 0.50

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
SCHEMBL2543431 0.89 STK4 (0.68) STK4STK3EGFRERBB2
SCHEMBL30847382 0.89 STK4 (0.68) STK4STK3EGFRERBB2
SCHEMBL13928069 0.88 STK4 (0.56) STK4EGFRERBB2
SCHEMBL2610723 0.88 STK4 (0.56) STK4EGFRERBB2
SCHEMBL29514941 0.88 STK4 (0.71) STK4STK3EGFRERBB2
SCHEMBL2129771 0.88 STK4 (0.71) STK4STK3EGFRERBB2
SCHEMBL5255823 0.83 STK4 (0.65) STK4STK3EGFRERBB2
SCHEMBL22419663 0.83 STK4 (1.00) STK4STK3EGFRERBB2
SCHEMBL18343640 0.81 STK4 (1.00) STK4STK3EGFRERBB2
SCHEMBL4744821 0.81 EGFR (0.55) STK4EGFRERBB2

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
US-7432377-B2 Quinoline intermediates of receptor tyrosine kinase inhibitors and the synthesis thereof WYETH (US) 2008-10-07 US disclosed
US-7399865-B2 such as (E)-N-{4-[4-(benzyloxy)-3-chloroanilino]-3-cyano-7-ethoxy-6-quinolinyl}-4-(dimethylamino)-2-butenamide used as antineoplastic agents, or inhibitors of the HER-2 gene or proteins and epidermal growth factor receptor enzymes WYETH (US) 2008-07-15 US disclosed