SCHEMBL21702990

SCHEMBL21702990

CNc1ccnn(Cc2nc3c(CC(C)(C)C)cc(F)cc3n2C(=O)OC(C)(C)C)c1=O

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 18/20 0.41
TTK P33981 1/20 0.31
AURKA O14965 1/20 0.30
CDK2 P24941 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
SCHEMBL21685684 0.88 MAP4K1 (0.37) MAP4K1
SCHEMBL25940756 0.82 MAP4K1 (0.49) MAP4K1
SCHEMBL21684281 0.79 MAP4K1 (0.67) MAP4K1
SCHEMBL21684278 0.79 MAP4K1 (0.67) MAP4K1
SCHEMBL24859756 0.78 MAP4K1 (0.56) MAP4K1
SCHEMBL21685330 0.77 MAP4K1 (0.38) MAP4K1
SCHEMBL21684352 0.77 FAAH (0.38) MAP4K1
SCHEMBL21684418 0.77 MAP4K1 (0.47) MAP4K1
SCHEMBL25940402 0.74 MAP4K1 (0.44) MAP4K1
SCHEMBL21684437 0.74 MAP4K1 (0.44) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020033784-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS SITARI PHARMA, INC. (US) 2020-02-13 WO disclosed