SCHEMBL993194

SCHEMBL993194

O=C(c1ccccn1)N(Br)c1cccc(-c2nncn2C2CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MAP3K5 Q99683 16/20 0.45
▸ MYLK Q15746 6/20 0.37
▸ TNF P01375 2/20 0.37

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
SCHEMBL16354007 0.79 NPC1 (0.41) MAP3K5MYLKTNF
SCHEMBL992208 0.79 MAP3K5 (0.44) MAP3K5MYLKTNF
SCHEMBL952626 0.78 MAP3K5 (0.67) MAP3K5
SCHEMBL20473178 0.75 MAP3K5 (0.41) MAP3K5MYLKTNF
SCHEMBL14482052 0.74 MAP3K5 (0.45) MAP3K5MYLKTNF
SCHEMBL22711043 0.74 MAP3K5 (0.43) MAP3K5MYLKTNF
SCHEMBL956897 0.73 CBLB (0.43) MAP3K5
SCHEMBL20473179 0.71 MAP3K5 (0.40) MAP3K5MYLKTNF
SCHEMBL952233 0.71 MYLK (0.46) MAP3K5MYLKTNF
SCHEMBL943988 0.70 MAP3K5 (0.69) MAP3K5MYLK

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
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