SCHEMBL30227455

SCHEMBL30227455

[2H]C([2H])([2H])NC(=O)c1cnc(Cl)cc1Nc1cc(F)cc(-c2ncccn2)c1OC

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 19/20 0.72
▸ JAK1 P23458 7/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ JAK2 O60674 1/20 0.40
▸ STAT3 P40763 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40

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
SCHEMBL28975902 1.00 TYK2 (0.72) TYK2JAK1CYP2C19JAK2STAT3
SCHEMBL25536674 0.93 TYK2 (0.63) TYK2JAK1CYP2C19JAK2KCNH2
SCHEMBL25232915 0.87 TYK2 (0.71) TYK2JAK1CYP2C19STAT3
SCHEMBL30227307 0.87 TYK2 (0.71) TYK2JAK1CYP2C19STAT3
SCHEMBL30385114 0.87 TYK2 (0.58) TYK2JAK1CYP2C19JAK2STAT3
SCHEMBL24899716 0.86 TYK2 (0.54) TYK2JAK1CYP2C19JAK2KCNH2
SCHEMBL24498496 0.85 TYK2 (0.54) TYK2JAK1CYP2C19JAK2KCNH2
SCHEMBL29686474 0.85 TYK2 (0.54) TYK2JAK1CYP2C19JAK2KCNH2
SCHEMBL29686572 0.85 TYK2 (0.72) TYK2JAK1CYP2C19KCNH2
SCHEMBL28975941 0.84 TYK2 (1.00) TYK2JAK1CYP2C19STAT3

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
EP-4143180-A1 SUBSTITUTED N-(METHYL-D3)PYRIDAZINE-3-CARBOXAMIDE OR N-(METHYL-D3)-NICOTINAMIDE COMPOUNDS AS IL-12, IL-23 AND/OR IFNALPHA MODULATORS Bristol-Myers Squibb Company (US) 2023-03-08 — — EP disclosed
CN-115715287-A Substituted N- (methyl-d 3) pyridazine-3-carboxamide or N- (methyl-d 3) -nicotinamide compounds as IL-12, IL-23 and/or IFN alpha modulators 百时美施贵宝公司 2023-02-24 — — CN disclosed
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