SCHEMBL21684486

SCHEMBL21684486

Cc1nc2cc(Cn3cccc(NC(=O)[CH]CCC=CC(=O)N(C)C)c3=O)[nH]c2c(CC(C)C)c1F

nearest known ligand 0.57

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 20/20 0.57

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
SCHEMBL21684485 1.00 MAP4K1 (0.57) MAP4K1
SCHEMBL21703029 0.90 MAP4K1 (0.56) MAP4K1
SCHEMBL21683871 0.88 MAP4K1 (0.60) MAP4K1
SCHEMBL21683875 0.88 MAP4K1 (0.60) MAP4K1
SCHEMBL21683876 0.88 MAP4K1 (0.60) MAP4K1
SCHEMBL21684031 0.86 MAP4K1 (0.73) MAP4K1
SCHEMBL21684033 0.86 MAP4K1 (0.73) MAP4K1
SCHEMBL30203434 0.86 MAP4K1 (0.73) MAP4K1
SCHEMBL21684034 0.86 MAP4K1 (0.73) MAP4K1
SCHEMBL23453243 0.86 MAP4K1 (0.65) 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