SCHEMBL20473178

SCHEMBL20473178

CS(=O)(=O)c1cccc(-c2ccnc(C(=O)N(c3ccccc3)c3cccc(-c4nncn4C4CC4)c3)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAP3K5 Q99683 9/20 0.41
▸ TGFBR1 P36897 6/20 0.36
▸ MAPK14 Q16539 5/20 0.36
▸ KDR P35968 4/20 0.36
▸ CHKA P35790 1/20 0.35
▸ TNF P01375 2/20 0.34
▸ MYLK Q15746 1/20 0.34
▸ PDE4A P27815 1/20 0.33
▸ RIPK2 O43353 1/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ PIK3CG P48736 1/20 0.33

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
SCHEMBL992208 0.84 MAP3K5 (0.44) MAP3K5TNFMYLK
SCHEMBL22711043 0.82 MAP3K5 (0.43) MAP3K5TNFMYLK
SCHEMBL935226 0.80 MAP3K5 (0.62) MAP3K5CHKA
SCHEMBL16354007 0.80 NPC1 (0.41) MAP3K5TNFMYLK
SCHEMBL20473179 0.80 MAP3K5 (0.40) MAP3K5TNFMYLK
SCHEMBL993194 0.75 MAP3K5 (0.45) MAP3K5TNFMYLK
SCHEMBL944473 0.75 MAP3K5 (0.62) MAP3K5CHKA
SCHEMBL22738967 0.73 MAP3K5 (0.45) MAP3K5CHKATNFMYLKPDE4A
SCHEMBL943988 0.71 MAP3K5 (0.69) MAP3K5KDRMYLK
SCHEMBL944324 0.70 MAP3K5 (0.60) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3363797-A1 ORAL DOSAGE FORM OF APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS Gilead Sciences, Inc. (US) 2018-08-22 — — EP disclosed
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