SCHEMBL23889402

SCHEMBL23889402

Cc1cc(Nc2nc(N[C@H]3C[C@@H]4CC5(CCC#N)C[C@H](C3)N45)nc3cc(-c4cnn(C5CC5)c4)ccc23)n[nH]1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 17/20 0.46
▸ JAK3 P52333 16/20 0.46
▸ JAK1 P23458 11/20 0.46
▸ JAK2 O60674 9/20 0.44
▸ PLK4 O00444 2/20 0.38
▸ PAK4 O96013 2/20 0.38
▸ NTRK1 P04629 1/20 0.36

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
SCHEMBL23878807 0.89 TYK2 (0.59) TYK2JAK3JAK1JAK2PLK4
SCHEMBL22054206 0.89 TYK2 (0.59) TYK2JAK3JAK1JAK2PLK4
SCHEMBL23889481 0.87 TYK2 (0.42) TYK2JAK3JAK1JAK2PLK4
SCHEMBL23889436 0.85 TYK2 (0.42) TYK2JAK3JAK1JAK2PLK4
SCHEMBL22055238 0.85 TYK2 (0.45) TYK2JAK3JAK1JAK2PLK4
SCHEMBL24071952 0.85 TYK2 (0.45) TYK2JAK3JAK1JAK2PLK4
SCHEMBL22054567 0.84 TYK2 (0.47) TYK2JAK3JAK1JAK2PLK4
SCHEMBL23889221 0.84 TYK2 (0.47) TYK2JAK3JAK1JAK2PLK4
SCHEMBL22054306 0.84 TYK2 (0.43) TYK2JAK3JAK1JAK2PLK4
SCHEMBL23879015 0.83 TYK2 (0.60) TYK2JAK3JAK1JAK2PLK4

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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