SCHEMBL30940488

SCHEMBL30940488

CCNC(=O)c1nnc(Nc2ccc(C(C)(C)O)cn2)cc1Nc1ncccc1SC

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 16/20 0.49
UGT1A1 P22309 1/20 0.48
KCNH2 Q12809 1/20 0.48
JAK2 O60674 4/20 0.36
JAK1 P23458 3/20 0.36
PDE4D Q08499 1/20 0.36
JAK3 P52333 1/20 0.36
IRAK4 Q9NWZ3 2/20 0.34
GRM5 P41594 1/20 0.34

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
SCHEMBL20985312 1.00 TYK2 (0.49) TYK2UGT1A1KCNH2JAK2JAK1
SCHEMBL30940522 0.86 TYK2 (0.61) TYK2UGT1A1KCNH2JAK2JAK1
SCHEMBL20985230 0.86 TYK2 (0.61) TYK2UGT1A1KCNH2JAK2JAK1
SCHEMBL20985343 0.81 TYK2 (0.62) TYK2UGT1A1KCNH2JAK2JAK1
SCHEMBL30940525 0.81 TYK2 (0.62) TYK2UGT1A1KCNH2JAK2JAK1
SCHEMBL20985220 0.78 GRM5 (0.41) TYK2PDE4DGRM5
SCHEMBL30940495 0.78 GRM5 (0.41) TYK2PDE4DGRM5
SCHEMBL20985285 0.76 TYK2 (0.49) TYK2UGT1A1KCNH2JAK2JAK1
SCHEMBL30940515 0.76 TYK2 (0.49) TYK2UGT1A1KCNH2JAK2JAK1
SCHEMBL20985242 0.75 TYK2 (0.62) TYK2UGT1A1KCNH2JAK2JAK1

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