SCHEMBL26977231

SCHEMBL26977231

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1nn(C(=O)OC(C)(C)C)c2cc(Cl)c(Br)cc12

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 1/20 0.34
FAAH O00519 1/20 0.32
ROCK2 O75116 1/20 0.30
CHEK2 O96017 1/20 0.30
PRKACA P17612 1/20 0.30
RPS6KA3 P51812 1/20 0.30
PAK1 Q13153 1/20 0.30
ROCK1 Q13464 1/20 0.30
DYRK1A Q13627 1/20 0.30
PRKD2 Q9BZL6 1/20 0.30

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
SCHEMBL21879928 0.91 RHEB (0.31)
SCHEMBL858865 0.81 MAP2K4 (0.41) MAP2K4
SCHEMBL1316854 0.81 PDGFRA (0.42) MAP2K4
SCHEMBL30681927 0.81 MAP2K4 (0.41) MAP2K4
SCHEMBL23930840 0.81 MAP2K4 (0.35) MAP2K4
SCHEMBL23930815 0.79 RORC (0.37) MAP2K4
SCHEMBL30833750 0.79 MAP2K4 (0.39) MAP2K4FAAH
SCHEMBL13210054 0.78 MAP2K4 (0.36) MAP2K4
SCHEMBL20804451 0.77 FAAH (0.35) MAP2K4FAAHROCK2CHEK2PRKACA
SCHEMBL10143378 0.77 MAP2K4 (0.34) MAP2K4FAAH

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
EP-3871673-B1 NOVEL INDAZOLE COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO LTD (JP) 2024-01-03 EP disclosed