SCHEMBL29563329

SCHEMBL29563329

COCCOc1cc(-c2cc(C)n3cnc(NC(C)=O)cc23)nc([C@@]2(OC)CCOC2)c1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 17/20 0.69
▸ JAK2 O60674 3/20 0.69
▸ JAK1 P23458 2/20 0.41
▸ CYP3A4 P08684 1/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ ALOX5 P09917 1/20 0.31
▸ PIK3CA P42336 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
SCHEMBL29562640 1.00 TYK2 (0.69) TYK2JAK2JAK1CYP3A4ADORA2A
SCHEMBL29563006 0.93 TYK2 (0.80) TYK2JAK2JAK1
SCHEMBL29563185 0.93 TYK2 (0.80) TYK2JAK2JAK1
SCHEMBL29562814 0.90 TYK2 (0.67) TYK2JAK2JAK1ALOX5
SCHEMBL29563088 0.90 TYK2 (0.67) TYK2JAK2JAK1ALOX5
SCHEMBL29562918 0.89 TYK2 (0.66) TYK2JAK2JAK1
SCHEMBL29563732 0.89 TYK2 (0.86) TYK2JAK2JAK1PIK3CA
SCHEMBL29562770 0.85 TYK2 (0.57) TYK2JAK2JAK1ALOX5
SCHEMBL29562777 0.85 TYK2 (0.57) TYK2JAK2JAK1ALOX5
SCHEMBL29563133 0.85 TYK2 (0.71) TYK2JAK2JAK1PIK3CA

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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