SCHEMBL29563897

SCHEMBL29563897

CO[C@]1(c2cc(C)cc(-c3cc(C4CCOC4)n4cnc(NC(C)=O)cc34)n2)CCOC1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 16/20 0.66
▸ JAK2 O60674 2/20 0.66
▸ JAK1 P23458 1/20 0.41
▸ ABL1 P00519 1/20 0.33
▸ GCK P35557 1/20 0.30
▸ PIK3CG P48736 1/20 0.30

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
SCHEMBL29562838 1.00 TYK2 (0.66) TYK2JAK2JAK1ABL1GCK
SCHEMBL29563023 0.93 TYK2 (0.76) TYK2JAK2JAK1ABL1GCK
SCHEMBL29563758 0.93 TYK2 (0.76) TYK2JAK2JAK1ABL1GCK
SCHEMBL29563732 0.87 TYK2 (0.86) TYK2JAK2JAK1
SCHEMBL29562760 0.85 TYK2 (0.55) TYK2JAK2JAK1
SCHEMBL29562768 0.85 TYK2 (0.55) TYK2JAK2JAK1
SCHEMBL29562660 0.84 TYK2 (0.53) TYK2JAK2JAK1
SCHEMBL29563116 0.84 TYK2 (0.53) TYK2JAK2JAK1
SCHEMBL29562888 0.84 TYK2 (0.63) TYK2JAK2JAK1ABL1
SCHEMBL29563335 0.84 TYK2 (0.63) TYK2JAK2JAK1ABL1

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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