SCHEMBL28584752

SCHEMBL28584752

COC(=O)NC(CCC=CC(=O)N(C)C)C(=O)Nc1cccn(Cc2nc3c(Oc4ccc(F)cc4F)ncnc3[nH]2)c1=O

nearest known ligand 0.88

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 20/20 0.88

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
SCHEMBL28584748 1.00 MAP4K1 (0.88) MAP4K1
SCHEMBL21703012 1.00 MAP4K1 (0.88) MAP4K1
SCHEMBL30203330 1.00 MAP4K1 (0.88) MAP4K1
SCHEMBL21684256 0.94 MAP4K1 (0.78) MAP4K1
SCHEMBL21684254 0.94 MAP4K1 (0.78) MAP4K1
SCHEMBL21684251 0.94 MAP4K1 (0.78) MAP4K1
SCHEMBL28579816 0.92 MAP4K1 (0.76) MAP4K1
SCHEMBL21703365 0.92 MAP4K1 (0.76) MAP4K1
SCHEMBL30203637 0.92 MAP4K1 (0.76) MAP4K1
SCHEMBL28579813 0.92 MAP4K1 (0.76) 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