SCHEMBL1082809

SCHEMBL1082809

NC(=O)c1nccc(-n2cnc3cccnc32)c1-c1cccc(-c2nncn2C2CC2)c1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 8/20 0.39
TP53 P04637 3/20 0.33
MYLK Q15746 3/20 0.33
TNF P01375 1/20 0.32
TGFBR1 P36897 1/20 0.31

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
SCHEMBL952625 0.79 MAP3K5 (0.43) MAP3K5MYLKTNF
SCHEMBL944325 0.74 MAP3K5 (0.66) MAP3K5TP53
SCHEMBL978873 0.72 MAP3K5 (0.41) MAP3K5MYLKTNF
SCHEMBL6127726 0.70 MAP3K5 (0.48) MAP3K5MYLKTNF
SCHEMBL979098 0.70 MAP3K5 (0.42) MAP3K5MYLKTNFTGFBR1
SCHEMBL945052 0.69 TP53 (0.44) TP53
SCHEMBL2217733 0.67 TP53 (0.47) TP53
SCHEMBL993196 0.66 MAP3K5 (0.56) MAP3K5MYLK
SCHEMBL15153024 0.66 MAP3K5 (0.35) MAP3K5MYLKTNF
SCHEMBL977782 0.65 MAP3K5 (0.41) MAP3K5TGFBR1

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 disclosed
WO-2011008709-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2011-01-20 WO disclosed