SCHEMBL21703386

SCHEMBL21703386

CCNc1cccn(Cc2cc3cc(F)cc(CC(C)(C)C)c3n2C(=O)OC(C)(C)C)c1=O

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 20/20 0.53

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
SCHEMBL21685079 0.87 MAP4K1 (0.48) MAP4K1
SCHEMBL21685535 0.83 MAP4K1 (0.46) MAP4K1
SCHEMBL25945981 0.80 MAP4K1 (0.60) MAP4K1
SCHEMBL21685314 0.79 MAP4K1 (0.47) MAP4K1
SCHEMBL21684976 0.78 MAP4K1 (0.59) MAP4K1
SCHEMBL25945848 0.78 MAP4K1 (0.62) MAP4K1
SCHEMBL21685476 0.77 MAP4K1 (0.58) MAP4K1
SCHEMBL23452762 0.76 MAP4K1 (0.46) MAP4K1
SCHEMBL21685889 0.75 MAP4K1 (0.43) MAP4K1
SCHEMBL31450375 0.75 MAP4K1 (0.80) 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