SCHEMBL28916031

SCHEMBL28916031

COC(=O)NC(CCC=CC(N)=O)C(=O)Nc1cccn(Cc2nc3c(CC(C)C)cccc3[nH]2)c1=O

nearest known ligand 0.85

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 20/20 0.85

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
SCHEMBL21703015 1.00 MAP4K1 (0.85) MAP4K1
SCHEMBL28916029 1.00 MAP4K1 (0.85) MAP4K1
SCHEMBL21683958 0.93 MAP4K1 (0.73) MAP4K1
SCHEMBL21683962 0.93 MAP4K1 (0.73) MAP4K1
SCHEMBL21683951 0.93 MAP4K1 (0.73) MAP4K1
SCHEMBL24859720 0.93 MAP4K1 (0.73) MAP4K1
SCHEMBL21703182 0.92 MAP4K1 (0.73) MAP4K1
SCHEMBL28584284 0.92 MAP4K1 (0.73) MAP4K1
SCHEMBL28584280 0.92 MAP4K1 (0.73) MAP4K1
SCHEMBL21702954 0.92 MAP4K1 (0.83) 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