SCHEMBL30227477

SCHEMBL30227477

[2H]C([2H])([2H])NC(=O)c1nnc(Nc2cn(C)nn2)cc1Nc1cccc(-c2ncc(F)cn2)c1OC

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 20/20 0.71
JAK1 P23458 2/20 0.59
STAT3 P40763 2/20 0.59
JAK2 O60674 1/20 0.59
STAT1 P42224 1/20 0.59
JAK3 P52333 1/20 0.59
BMPR2 Q13873 1/20 0.59
CYP2C19 P33261 1/20 0.58
UGT1A1 P22309 1/20 0.57
KCNH2 Q12809 1/20 0.57

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
SCHEMBL30227393 0.90 TYK2 (0.68) TYK2JAK1STAT3JAK2STAT1
SCHEMBL30227556 0.87 TYK2 (0.71) TYK2JAK1STAT3JAK2STAT1
SCHEMBL30260243 0.87 TYK2 (0.79) TYK2JAK1STAT3CYP2C19UGT1A1
SCHEMBL30227345 0.86 TYK2 (0.57) TYK2JAK1STAT3JAK2STAT1
SCHEMBL30227271 0.86 TYK2 (0.74) TYK2JAK1STAT3CYP2C19UGT1A1
SCHEMBL30227196 0.86 TYK2 (0.69) TYK2JAK1STAT3JAK2STAT1
SCHEMBL30260248 0.85 TYK2 (0.73) TYK2JAK1STAT3CYP2C19UGT1A1
SCHEMBL30227425 0.84 TYK2 (0.71) TYK2JAK1STAT3CYP2C19UGT1A1
SCHEMBL30227374 0.84 TYK2 (0.66) TYK2JAK1STAT3JAK2STAT1
SCHEMBL30227365 0.83 TYK2 (0.70) TYK2JAK1STAT3CYP2C19UGT1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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