SCHEMBL29124441

SCHEMBL29124441

Cc1cnc(N[C@H]2CCN(C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.51
PIK3CD O00329 2/20 0.48
USP30 Q70CQ3 7/20 0.46
BTK Q06187 1/20 0.45
PIK3CA P42336 1/20 0.43
GPR119 Q8TDV5 3/20 0.42
BRD4 O60885 1/20 0.42
ADORA1 P30542 1/20 0.42
PIM1 P11309 1/20 0.41
PIM2 Q9P1W9 1/20 0.41

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
SCHEMBL29124443 1.00 HSD11B1 (0.51) HSD11B1PIK3CDUSP30BTKPIK3CA
SCHEMBL31170926 1.00 HSD11B1 (0.51) HSD11B1PIK3CDUSP30BTKPIK3CA
SCHEMBL26671813 0.94 GPR119 (0.48) HSD11B1BTKGPR119
SCHEMBL2636953 0.89 HSD11B1 (0.63) HSD11B1PIK3CDUSP30BTKPIK3CA
SCHEMBL2636954 0.89 HSD11B1 (0.63) HSD11B1PIK3CDUSP30BTKPIK3CA
SCHEMBL29124353 0.89 PIK3CD (0.51) HSD11B1PIK3CDUSP30BTKPIK3CA
SCHEMBL29124351 0.89 PIK3CD (0.51) HSD11B1PIK3CDUSP30BTKPIK3CA
SCHEMBL31171029 0.89 PIK3CD (0.51) HSD11B1PIK3CDUSP30BTKPIK3CA
SCHEMBL31170927 0.88 HSD11B1 (0.49) HSD11B1PIK3CDUSP30BTKPIK3CA
SCHEMBL7185235 0.88 HSD11B1 (0.49) HSD11B1PIK3CDUSP30BTKPIK3CA

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-112689637-B Imidazopyridone compounds 橘生药品工业株式会社 2023-11-10 CN disclosed
CN-112689637-A Imidazopyridinone compounds 橘生药品工业株式会社 2021-04-20 CN disclosed