SCHEMBL17180505

SCHEMBL17180505

CC(C)CSc1ccc(-c2ccnc(C(=O)Nc3ccccc3-c3nncn3C3CC3)c2)cn1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAP3K5 Q99683 14/20 0.41
▸ CBLB Q13191 1/20 0.39
▸ TNF P01375 1/20 0.36
▸ MAPK1 P28482 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ PDCD1 Q15116 3/20 0.33
▸ CD274 Q9NZQ7 3/20 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
SCHEMBL945431 0.86 MAP3K5 (0.56) MAP3K5CBLB
SCHEMBL17180512 0.84 MAP3K5 (0.53) MAP3K5CBLB
SCHEMBL946376 0.75 MAP3K5 (0.52) MAP3K5
SCHEMBL943925 0.75 MAP3K5 (0.60) MAP3K5CBLBTNFSMN1; SMN2
SCHEMBL23721197 0.74 CBLB (0.31) MAP3K5CBLB
SCHEMBL934954 0.74 MAP3K5 (0.47) MAP3K5TNF
SCHEMBL944333 0.71 MAP3K5 (0.60) MAP3K5CBLB
SCHEMBL945552 0.71 MAP3K5 (0.63) MAP3K5CBLBTNFSMN1; SMN2
SCHEMBL12943387 0.70 MAP3K5 (0.45) MAP3K5
SCHEMBL945392 0.70 MAP3K5 (0.58) MAP3K5CBLBTNFSMN1; SMN2

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-2933252-A1 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES, INC. (US) 2015-10-21 — — EP disclosed
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