SCHEMBL6603961

SCHEMBL6603961

CCSc1sc(C(C)=O)c(-c2ccc(C)cc2)c1C#N

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 6/20 0.62
FNTA P49354 11/20 0.50
FNTB P49356 11/20 0.50
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
GRIA2 P42262 2/20 0.44
KMT2A Q03164 1/20 0.44
GAA P10253 1/20 0.43

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
SCHEMBL5758052 0.85 GRIA4 (0.64) GRIA4FNTAFNTBKDM4EALDH1A1
SCHEMBL16792140 0.80 GRIA4 (0.64) GRIA4FNTAFNTBKMT2A
SCHEMBL9865335 0.79 GRIA4 (0.48) GRIA4FNTAFNTBKDM4EALDH1A1
SCHEMBL10652875 0.79 GRIA4 (0.74) GRIA4FNTAFNTBGRIA2KMT2A
SCHEMBL3128889 0.77 GRIA4 (1.00) GRIA4FNTAFNTBGRIA2KMT2A
SCHEMBL9865583 0.76 GRIA4 (0.48) GRIA4FNTAFNTBKDM4EALDH1A1
SCHEMBL3131105 0.76 GRIA4 (0.76) GRIA4FNTAFNTBGRIA2
SCHEMBL9865423 0.75 MEN1 (0.48) GRIA4FNTAFNTBKDM4EALDH1A1
SCHEMBL9141734 0.74 GRIA4 (0.51) GRIA4FNTAFNTBGRIA2KMT2A
SCHEMBL5756967 0.74 GRIA4 (0.62) GRIA4FNTAFNTBKDM4EGRIA2

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-1389206-A2 INHIBITORS OF C-JUN N-TERMINAL KINASES (JNK) AND OTHER PROTEIN KINASES Vertex Pharmaceuticals Incorporated (US) 2004-02-18 EP disclosed
WO-2002083667-A2 INHIBITORS OF C-JUN N-TERMINAL KINASES (JNK) AND OTHER PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-10-24 WO disclosed