SCHEMBL21684804

SCHEMBL21684804

CN(C)C(=O)/C=C/CC[CH]C(=O)Nc1cccn(Cc2nc3c(F)cnc(CCC(F)(F)F)c3[nH]2)c1=O

nearest known ligand 0.49

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 20/20 0.49

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
SCHEMBL25952083 0.90 MAP4K1 (0.48) MAP4K1
SCHEMBL21683967 0.87 MAP4K1 (0.54) MAP4K1
SCHEMBL21684816 0.86 MAP4K1 (0.59) MAP4K1
SCHEMBL21684820 0.86 MAP4K1 (0.59) MAP4K1
SCHEMBL21684811 0.86 MAP4K1 (0.59) MAP4K1
SCHEMBL21684893 0.86 MAP4K1 (0.68) MAP4K1
SCHEMBL21684895 0.86 MAP4K1 (0.68) MAP4K1
SCHEMBL31450449 0.86 MAP4K1 (0.52) MAP4K1
SCHEMBL21684891 0.86 MAP4K1 (0.68) MAP4K1
SCHEMBL30467331 0.86 MAP4K1 (0.68) 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-3833348-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS SITARI PHARMA, INC (US) 2021-06-16 EP disclosed
WO-2020033784-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS SITARI PHARMA, INC. (US) 2020-02-13 WO disclosed