SCHEMBL21702940

SCHEMBL21702940

NC(=O)/C=C/CCCC(=O)Nc1cccn(Cc2nc3cc(F)cc(OCc4ccc(F)cc4F)c3[nH]2)c1=O

nearest known ligand 0.51

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 20/20 0.51

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
SCHEMBL25942128 0.92 MAP4K1 (0.62) MAP4K1
SCHEMBL25945458 0.89 MAP4K1 (0.63) MAP4K1
SCHEMBL21683838 0.86 MAP4K1 (0.61) MAP4K1
SCHEMBL21683836 0.86 MAP4K1 (0.61) MAP4K1
SCHEMBL21683841 0.86 MAP4K1 (0.61) MAP4K1
SCHEMBL25943566 0.86 MAP4K1 (0.44) MAP4K1
SCHEMBL25942409 0.86 MAP4K1 (0.60) MAP4K1
SCHEMBL21684499 0.85 MAP4K1 (0.61) MAP4K1
SCHEMBL21684502 0.85 MAP4K1 (0.61) MAP4K1
SCHEMBL21684722 0.85 MAP4K1 (0.61) MAP4K1

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-4219460-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS Sitari Pharma, Inc. (US) 2023-08-02 EP disclosed
WO-2020033784-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS SITARI PHARMA, INC. (US) 2020-02-13 WO disclosed