SCHEMBL952625

SCHEMBL952625

NC(=O)c1ncccc1-c1cccc(-c2nncn2C2CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 14/20 0.43
MYLK Q15746 6/20 0.40
TNF P01375 2/20 0.38

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
SCHEMBL952891 0.84 LMNA (0.41) MAP3K5
SCHEMBL1082809 0.79 MAP3K5 (0.39) MAP3K5MYLKTNF
SCHEMBL6127726 0.79 MAP3K5 (0.48) MAP3K5MYLKTNF
SCHEMBL20544694 0.78 MAP3K5 (0.56) MAP3K5MYLKTNF
SCHEMBL978873 0.77 MAP3K5 (0.41) MAP3K5MYLKTNF
SCHEMBL947146 0.76 MAP3K5 (0.62) MAP3K5MYLK
SCHEMBL19878461 0.74 MKNK1 (0.47)
SCHEMBL993196 0.74 MAP3K5 (0.56) MAP3K5MYLK
SCHEMBL979098 0.74 MAP3K5 (0.42) MAP3K5MYLKTNF
SCHEMBL30853823 0.73 MAP3K5 (0.46) MAP3K5MYLKTNF

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-2454250-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS Gilead Sciences, Inc. (US) 2012-05-23 EP claimed
WO-2011008709-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2011-01-20 WO claimed