SCHEMBL28588476

SCHEMBL28588476

COC(=O)NC(CC/C=C/C(=O)N(C)C)C(=O)Nc1cccn(Cc2nc3c(Oc4ccc(F)cc4F)cccc3[nH]2)c1=O

nearest known ligand 0.83

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 20/20 0.83

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
SCHEMBL21703226 1.00 MAP4K1 (0.83) MAP4K1
SCHEMBL28588480 1.00 MAP4K1 (0.83) MAP4K1
SCHEMBL21683607 0.94 MAP4K1 (0.74) MAP4K1
SCHEMBL21683604 0.94 MAP4K1 (0.74) MAP4K1
SCHEMBL21684150 0.92 MAP4K1 (0.77) MAP4K1
SCHEMBL31450465 0.92 MAP4K1 (0.77) MAP4K1
SCHEMBL21684152 0.92 MAP4K1 (0.77) MAP4K1
SCHEMBL23453188 0.91 MAP4K1 (0.74) MAP4K1
SCHEMBL21685135 0.91 MAP4K1 (1.00) MAP4K1
SCHEMBL21685134 0.91 MAP4K1 (1.00) 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
CN-112789040-A Transglutaminase 2(TG2) inhibitors 思达利医药公司 2021-05-11 CN claimed
CN-112789040-A Transglutaminase 2(TG2) inhibitors 思达利医药公司 2021-05-11 CN disclosed