SCHEMBL28579792

SCHEMBL28579792

COC(=O)NC(CCC=CC(=O)N(C)C)C(=O)Nc1cccn(Cc2cc3cccc(OCC(F)F)c3[nH]2)c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 20/20 1.00

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
SCHEMBL31450594 1.00 MAP4K1 (1.00) MAP4K1
SCHEMBL28579788 1.00 MAP4K1 (1.00) MAP4K1
SCHEMBL23452832 1.00 MAP4K1 (1.00) MAP4K1
SCHEMBL21685097 0.94 MAP4K1 (0.89) MAP4K1
SCHEMBL21685101 0.94 MAP4K1 (0.89) MAP4K1
SCHEMBL21685105 0.94 MAP4K1 (0.89) MAP4K1
SCHEMBL21703371 0.94 MAP4K1 (0.88) MAP4K1
SCHEMBL31450739 0.94 MAP4K1 (0.88) MAP4K1
SCHEMBL28916067 0.94 MAP4K1 (0.88) MAP4K1
SCHEMBL28916068 0.94 MAP4K1 (0.88) 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