SCHEMBL28641307

SCHEMBL28641307

COc1ccc(N(C)c2cc(Nc3cccc4c3OCCC4)nc3c(C(=O)N[C@@H]4CCN(C)C4=O)cnn23)cc1

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 19/20 0.71
▸ STAT3 P40763 4/20 0.71
▸ HPGDS O60760 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
SCHEMBL22092695 0.91 TYK2 (0.69) TYK2STAT3
SCHEMBL28557220 0.86 TYK2 (0.71) TYK2STAT3HPGDS
SCHEMBL28641308 0.85 TYK2 (0.76) TYK2STAT3
SCHEMBL22092690 0.83 TYK2 (1.00) TYK2STAT3
SCHEMBL22103760 0.83 TYK2 (1.00) TYK2STAT3
SCHEMBL24224244 0.83 TYK2 (1.00) TYK2STAT3
SCHEMBL30377885 0.83 TYK2 (1.00) TYK2STAT3
SCHEMBL21887786 0.76 TYK2 (0.69) TYK2STAT3HPGDS
SCHEMBL21887373 0.76 TYK2 (0.59) TYK2STAT3HPGDS
SCHEMBL22092672 0.76 TYK2 (0.47) TYK2STAT3

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-113166163-B 7- (methylamino) pyrazolo [1,5-A ] pyrimidine-3-carboxamide derivatives 伊莱利利公司 2023-04-07 — — CN disclosed
CN-113166163-A 7- (methylamino) pyrazolo [1,5-A ] pyrimidine-3-carboxamide derivatives 伊莱利利公司 2021-07-23 — — CN disclosed
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