SCHEMBL27637408

SCHEMBL27637408

CC(C)(C)OC(=O)n1ncc2c(N)c(-c3ccc(C4(C(=O)OC(C)(C)C)CCCC4N)cc3)ccc21

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.34
▸ CTSD P07339 1/20 0.32
▸ CTSE P14091 1/20 0.32
▸ BACE1 P56817 1/20 0.32
▸ GPR119 Q8TDV5 2/20 0.31
▸ ROCK2 O75116 1/20 0.30
▸ PIK3CA P42336 1/20 0.30
▸ MTOR P42345 1/20 0.30
▸ PIK3CG P48736 1/20 0.30
▸ ATR Q13535 1/20 0.30
▸ AURKB Q96GD4 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
SCHEMBL1141929 0.90 ELANE (0.33) ELANEGPR119
SCHEMBL1141692 0.88 ELANE (0.32) ELANEGPR119
SCHEMBL1141482 0.78 AKT1 (0.38) ELANEROCK2PIK3CAMTORPIK3CG
SCHEMBL1141485 0.78 ELANE (0.31) ELANE
SCHEMBL11911441 0.77 MAP2K4 (0.40) ELANEROCK2AURKB
SCHEMBL27637417 0.73 MAP2K4 (0.38) ELANEROCK2AURKB
SCHEMBL27637471 0.72 MAP2K4 (0.33) ELANEROCK2PIK3CAMTORPIK3CG
SCHEMBL1141597 0.72 MAP2K4 (0.36) ELANEGPR119ROCK2PIK3CAMTOR
SCHEMBL1141491 0.71 GRM2 (0.43) ROCK2ATRAURKB
SCHEMBL27637644 0.71 MAP2K4 (0.36) ELANEROCK2AURKB

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-1863779-B indazole derivatives UBE INDUSTRIES 2010-05-05 — — CN disclosed
CN-1863779-A Novel indazole derivative UBE INDUSTRIES (JP) 2006-11-15 — — CN disclosed
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