SCHEMBL29562765

SCHEMBL29562765

CCOC(=O)c1cc2c(-c3cc(C)cc([C@]4(OC)CCOC4)n3)cc(Cl)n2cn1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 16/20 0.58
▸ JAK2 O60674 2/20 0.58
▸ JAK1 P23458 1/20 0.37
▸ NOTUM Q6P988 1/20 0.32
▸ ALOX5 P09917 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31

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
SCHEMBL29562864 1.00 TYK2 (0.58) TYK2JAK2JAK1NOTUMALOX5
SCHEMBL29563338 0.92 TYK2 (0.69) TYK2JAK2JAK1ALOX5
SCHEMBL29562969 0.92 TYK2 (0.69) TYK2JAK2JAK1ALOX5
SCHEMBL29563038 0.91 TYK2 (0.51) TYK2JAK2JAK1ALOX5
SCHEMBL29563702 0.91 TYK2 (0.51) TYK2JAK2JAK1ALOX5
SCHEMBL29562697 0.89 TYK2 (0.63) TYK2JAK2JAK1ALOX5
SCHEMBL29562660 0.85 TYK2 (0.53) TYK2JAK2JAK1
SCHEMBL29563116 0.85 TYK2 (0.53) TYK2JAK2JAK1
SCHEMBL29563085 0.85 TYK2 (0.53) TYK2JAK2JAK1
SCHEMBL29562916 0.85 TYK2 (0.52) TYK2JAK2JAK1

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
WO-2022109580-A1 INHIBITION OF TYK2 DEPENDENT SIGNALING PATHWAYS JANSSEN PHARMACEUTICA NV (BE) 2022-05-27 — — WO disclosed
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