SCHEMBL30227271

SCHEMBL30227271

[2H]C([2H])([2H])NC(=O)c1nnc(Nc2ccc(C)nn2)cc1Nc1cccc(-c2ncc(F)cn2)c1OC

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 19/20 0.74
JAK1 P23458 1/20 0.61
CYP2C19 P33261 1/20 0.61
UGT1A1 P22309 1/20 0.61
KCNH2 Q12809 1/20 0.61
STAT3 P40763 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
SCHEMBL25537133 0.94 TYK2 (0.66) TYK2
SCHEMBL30260243 0.92 TYK2 (0.79) TYK2JAK1CYP2C19UGT1A1KCNH2
SCHEMBL30227425 0.90 TYK2 (0.71) TYK2JAK1CYP2C19UGT1A1KCNH2
SCHEMBL30227537 0.89 TYK2 (0.77) TYK2JAK1CYP2C19UGT1A1KCNH2
SCHEMBL30227365 0.89 TYK2 (0.70) TYK2JAK1CYP2C19UGT1A1KCNH2
SCHEMBL30260248 0.88 TYK2 (0.73) TYK2JAK1CYP2C19UGT1A1KCNH2
SCHEMBL30260207 0.86 TYK2 (0.81) TYK2JAK1CYP2C19UGT1A1KCNH2
SCHEMBL25537143 0.86 TYK2 (0.70) TYK2
SCHEMBL30227477 0.86 TYK2 (0.71) TYK2JAK1CYP2C19UGT1A1KCNH2
SCHEMBL30227556 0.86 TYK2 (0.71) TYK2JAK1CYP2C19UGT1A1KCNH2

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 4 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 claimed
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