SCHEMBL29562650

SCHEMBL29562650

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

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 16/20 0.66
▸ JAK2 O60674 2/20 0.66
▸ JAK1 P23458 1/20 0.40
▸ GSK3B P49841 1/20 0.31
▸ DYRK1A Q13627 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
SCHEMBL29563007 0.90 TYK2 (0.71) TYK2JAK2JAK1
SCHEMBL29563133 0.90 TYK2 (0.71) TYK2JAK2JAK1
SCHEMBL29563240 0.90 TYK2 (0.82) TYK2JAK2JAK1
SCHEMBL29562928 0.90 TYK2 (0.82) TYK2JAK2JAK1
SCHEMBL29562901 0.83 TYK2 (0.59) TYK2JAK2JAK1
SCHEMBL29562695 0.83 TYK2 (0.59) TYK2JAK2JAK1
SCHEMBL29563020 0.81 TYK2 (0.59) TYK2JAK2JAK1
SCHEMBL29563039 0.81 TYK2 (0.59) TYK2JAK2JAK1
SCHEMBL29563732 0.81 TYK2 (0.86) TYK2JAK2JAK1
SCHEMBL29563806 0.80 TYK2 (1.00) 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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