SCHEMBL23721196

SCHEMBL23721196

C=C(CC(C)/C=C(\C)c1nncn1C1CC1)NC(=O)c1cc(-c2ccc(C3CCC3)nc2)ccn1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MAP3K5 Q99683 3/20 0.34
▸ WNT3A P56704 2/20 0.32
▸ KDM5A P29375 1/20 0.31
▸ CBLB Q13191 1/20 0.31
▸ CSF1R P07333 1/20 0.30

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
SCHEMBL23720730 0.73 MAP3K5 (0.36) MAP3K5CBLB
SCHEMBL23721197 0.73 CBLB (0.31) MAP3K5CBLB
SCHEMBL943740 0.70 MAP3K5 (0.67) MAP3K5CBLB
SCHEMBL945361 0.68 MAP3K5 (0.67) MAP3K5CBLB
SCHEMBL944011 0.68 MAP3K5 (0.55) MAP3K5
SCHEMBL22739099 0.68 MAP3K5 (0.43) MAP3K5
SCHEMBL945438 0.68 MAP3K5 (0.57) MAP3K5
SCHEMBL944497 0.67 MAP3K5 (0.67) MAP3K5CBLB
SCHEMBL945209 0.66 MAP3K5 (0.71) MAP3K5CBLB
SCHEMBL945769 0.66 MAP3K5 (0.53) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3858824-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS Gilead Sciences, Inc. (US) 2021-08-04 — — EP disclosed
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