SCHEMBL30227261

SCHEMBL30227261

[2H]C([2H])([2H])NC(=O)c1nnc(Nc2ccc(C(F)(F)F)nn2)cc1Nc1cccc(-c2ncccn2)c1OC

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 19/20 0.68
STAT3 P40763 3/20 0.65
JAK2 O60674 1/20 0.55
JAK1 P23458 1/20 0.55
STAT1 P42224 1/20 0.55
JAK3 P52333 1/20 0.55
BMPR2 Q13873 1/20 0.55

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
SCHEMBL25537145 0.94 TYK2 (0.71) TYK2STAT3JAK2
SCHEMBL30227425 0.93 TYK2 (0.71) TYK2STAT3JAK1
SCHEMBL30227331 0.89 TYK2 (0.73) TYK2STAT3JAK2JAK1STAT1
SCHEMBL30260228 0.89 TYK2 (0.66) TYK2STAT3JAK1
SCHEMBL25537077 0.82 TYK2 (0.63) TYK2STAT3JAK1
SCHEMBL30260243 0.82 TYK2 (0.79) TYK2STAT3JAK1
SCHEMBL25537140 0.82 TYK2 (0.77) TYK2JAK2
SCHEMBL30260216 0.82 TYK2 (0.69) TYK2STAT3JAK1
SCHEMBL30227271 0.82 TYK2 (0.74) TYK2STAT3JAK1
SCHEMBL30227453 0.81 TYK2 (0.64) TYK2STAT3JAK2JAK1STAT1

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