SCHEMBL23276829

SCHEMBL23276829

CCCS(=O)(=O)N1CCC(c2ccnc(Nc3cnn(C)c3)n2)CC1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 19/20 0.48
▸ JAK2 O60674 18/20 0.48
▸ JAK1 P23458 18/20 0.48
▸ JAK3 P52333 7/20 0.43
▸ STAT3 P40763 1/20 0.42
▸ KDR P35968 2/20 0.42
▸ STAT1 P42224 1/20 0.42
▸ EGFR P00533 1/20 0.41
▸ PRMT7 Q9NVM4 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
SCHEMBL23276885 0.94 TYK2 (0.51) TYK2JAK2JAK1JAK3STAT3
SCHEMBL23276860 0.83 JAK2 (0.50) TYK2JAK2JAK1JAK3STAT3
SCHEMBL23299626 0.83 TYK2 (0.46) TYK2JAK2JAK1JAK3STAT3
SCHEMBL23277043 0.80 JAK1 (0.49) TYK2JAK2JAK1JAK3
SCHEMBL23276742 0.80 JAK1 (0.53) TYK2JAK2JAK1JAK3
SCHEMBL23277048 0.79 JAK2 (0.54) TYK2JAK2JAK1JAK3KDR
SCHEMBL23277050 0.79 JAK2 (0.49) TYK2JAK2JAK1JAK3STAT3
SCHEMBL23276934 0.79 JAK2 (0.52) TYK2JAK2JAK1JAK3KDR
SCHEMBL23276936 0.79 JAK2 (0.47) TYK2JAK2JAK1JAK3STAT3
SCHEMBL23276770 0.77 JAK2 (0.53) TYK2JAK2JAK1JAK3STAT3

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
WO-2021078021-A1 SMALL MOLECULAR COMPOUND 嘉兴特科罗生物科技有限公司 2021-04-29 — — WO disclosed
WO-2021078021-A1 SMALL MOLECULAR COMPOUND 嘉兴特科罗生物科技有限公司 2021-04-29 — — WO disclosed
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