SCHEMBL30940503

SCHEMBL30940503

CNC(=O)c1nnc(Nc2ccn(C)n2)cc1Nc1ncccc1S(C)(=O)=O

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 20/20 0.60
JAK1 P23458 5/20 0.53
JAK2 O60674 3/20 0.53
JAK3 P52333 1/20 0.53
STAT3 P40763 1/20 0.42
KCNH2 Q12809 2/20 0.42
KIT P10721 1/20 0.42

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
SCHEMBL20985259 1.00 TYK2 (0.60) TYK2JAK1JAK2JAK3STAT3
SCHEMBL20985320 0.94 TYK2 (0.62) TYK2JAK1JAK2JAK3STAT3
SCHEMBL30617349 0.94 TYK2 (0.62) TYK2JAK1JAK2JAK3STAT3
SCHEMBL20985328 0.84 TYK2 (0.46) TYK2JAK1JAK2JAK3
SCHEMBL30940508 0.84 TYK2 (0.46) TYK2JAK1JAK2JAK3
SCHEMBL20985238 0.82 TYK2 (0.61) TYK2JAK1JAK2JAK3KCNH2
SCHEMBL30940531 0.82 TYK2 (0.61) TYK2JAK1JAK2JAK3KCNH2
SCHEMBL30617350 0.81 TYK2 (0.62) TYK2JAK1JAK2JAK3STAT3
SCHEMBL30617395 0.80 TYK2 (0.61) TYK2JAK1JAK2JAK3STAT3
SCHEMBL30617394 0.80 TYK2 (0.56) TYK2JAK1JAK2JAK3STAT3

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
CN-111315737-B Heteroaryl compounds substituted with sulfone pyridinylalkylamides 百时美施贵宝公司 2024-06-18 CN disclosed