SCHEMBL24816014

SCHEMBL24816014

Cc1nnc2nc(N3CCOCc4c(C#CC(C)(C)C(F)(F)F)cccc43)c3cc(F)ccc3n12

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.31
PTAFR P25105 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
SCHEMBL23577406 0.88 PTAFR (0.33) DHODHPTAFR
SCHEMBL29909613 0.88 PTAFR (0.33) PTAFR
SCHEMBL24815998 0.88 PTAFR (0.31) DHODHPTAFR
SCHEMBL24721319 0.88 PTAFR (0.33) PTAFR
SCHEMBL30095618 0.87 MAPT (0.34)
SCHEMBL23578381 0.87 MAPT (0.34)
SCHEMBL24814758 0.87 PIK3R2 (0.31)
SCHEMBL24813186 0.87 MAPT (0.33)
SCHEMBL24808962 0.85 MAPT (0.30)
SCHEMBL30146575 0.85 MAPT (0.30)

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
WO-2022271684-A1 DIACYLGLYERCOL KINASE MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2022-12-29 WO disclosed