SCHEMBL30940508

SCHEMBL30940508

CNC(=O)c1nnc(Nc2ccn(C)n2)cc1Nc1ncccc1SC

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 20/20 0.46
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
JAK3 P52333 1/20 0.39

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
SCHEMBL20985328 1.00 TYK2 (0.46) TYK2JAK2JAK1JAK3
SCHEMBL20985235 0.94 TYK2 (0.50) TYK2JAK2JAK1JAK3
SCHEMBL21001866 0.90 GRM5 (0.38) TYK2
SCHEMBL20985259 0.84 TYK2 (0.60) TYK2JAK2JAK1JAK3
SCHEMBL30940503 0.84 TYK2 (0.60) TYK2JAK2JAK1JAK3
SCHEMBL30940514 0.82 TYK2 (0.53) TYK2
SCHEMBL20985291 0.82 TYK2 (0.53) TYK2
SCHEMBL30940521 0.79 GRM5 (0.43) TYK2JAK2JAK1
SCHEMBL20985236 0.79 GRM5 (0.43) TYK2JAK2JAK1
SCHEMBL20985320 0.78 TYK2 (0.62) TYK2JAK2JAK1JAK3

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