SCHEMBL934010

SCHEMBL934010

O=C(Nc1cccc(-c2nncn2C2CC2)n1)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 17/20 0.64
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
TNF P01375 1/20 0.48

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
SCHEMBL15407142 0.93 MAP3K5 (0.59) MAP3K5MEN1KMT2A
SCHEMBL15407592 0.92 MAP3K5 (0.60) MAP3K5TNF
SCHEMBL20523096 0.89 MAP3K5 (0.54) MAP3K5TNF
SCHEMBL20523038 0.89 MAP3K5 (0.52) MAP3K5TNF
SCHEMBL15408170 0.89 MAP3K5 (0.67) MAP3K5MEN1KMT2A
SCHEMBL20522708 0.87 MAP3K5 (0.57) MAP3K5
Hydrochloric Acid SCHEMBL20523105 0.86 MAP3K5 (0.56) MAP3K5
SCHEMBL15408664 0.84 MAP3K5 (0.54) MAP3K5
SCHEMBL946130 0.83 MAP3K5 (0.52) MAP3K5KMT2ATNF
SCHEMBL29265532 0.83 NPC1 (0.56) MAP3K5

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