SCHEMBL23889574

SCHEMBL23889574

Cc1cc(Nc2nc(N[C@H]3CC[C@@H]4CCC[C@H](C3)N4C(=O)OC(C)(C)C)nc3sccc23)n[nH]1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 11/20 0.44
▸ TYK2 P29597 10/20 0.44
▸ JAK2 O60674 10/20 0.44
▸ JAK1 P23458 10/20 0.44
▸ GPR119 Q8TDV5 2/20 0.43
▸ BRD4 O60885 4/20 0.40
▸ PLK4 O00444 2/20 0.39
▸ PAK4 O96013 2/20 0.39
▸ KAT2B Q92831 1/20 0.39

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
SCHEMBL23878837 0.96 JAK1 (0.47) JAK3TYK2JAK2JAK1GPR119
SCHEMBL30147244 0.96 JAK1 (0.47) JAK3TYK2JAK2JAK1GPR119
SCHEMBL22054234 0.96 JAK1 (0.47) JAK3TYK2JAK2JAK1GPR119
SCHEMBL23878809 0.95 GPR119 (0.47) JAK3TYK2JAK2JAK1GPR119
SCHEMBL22054224 0.95 GPR119 (0.47) JAK3TYK2JAK2JAK1GPR119
SCHEMBL23889629 0.87 JAK1 (0.47) JAK3TYK2JAK2JAK1GPR119
SCHEMBL22054226 0.87 JAK1 (0.47) JAK3TYK2JAK2JAK1GPR119
SCHEMBL30147222 0.87 JAK1 (0.47) JAK3TYK2JAK2JAK1GPR119
SCHEMBL23879004 0.85 TYK2 (0.47) JAK3TYK2JAK2JAK1BRD4
SCHEMBL30147242 0.85 TYK2 (0.48) JAK3TYK2JAK2JAK1PLK4

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-3889152-A1 HETEROAROMATIC DERIVATIVES FOR USE AS REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF Jiangsu Hansoh Pharmaceutical Group Co., Ltd. (CN) 2021-10-06 — — EP disclosed
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