SCHEMBL22054515

SCHEMBL22054515

CCC1CC(Nc2cn3ccnc3c(Nc3cc(C)[nH]n3)n2)CC(CC)N1CCC#N

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 19/20 0.49
▸ JAK3 P52333 19/20 0.49
▸ JAK1 P23458 13/20 0.49
▸ JAK2 O60674 11/20 0.49
▸ P2RX3 P56373 1/20 0.35
▸ P2RX2 Q9UBL9 1/20 0.35

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
SCHEMBL22054127 0.94 TYK2 (0.53) TYK2JAK3JAK1JAK2P2RX3
SCHEMBL23878959 0.89 TYK2 (0.62) TYK2JAK3JAK1JAK2
SCHEMBL22054514 0.89 TYK2 (0.62) TYK2JAK3JAK1JAK2
SCHEMBL24995516 0.89 TYK2 (0.62) TYK2JAK3JAK1JAK2
SCHEMBL23878733 0.83 TYK2 (0.66) TYK2JAK3JAK1JAK2P2RX3
SCHEMBL23889491 0.83 TYK2 (0.66) TYK2JAK3JAK1JAK2P2RX3
SCHEMBL22054122 0.83 TYK2 (0.66) TYK2JAK3JAK1JAK2P2RX3
SCHEMBL24995526 0.82 TYK2 (0.64) TYK2JAK3JAK1JAK2
SCHEMBL22055324 0.81 TYK2 (0.51) TYK2JAK3JAK1JAK2P2RX3
SCHEMBL22055332 0.80 JAK3 (0.71) TYK2JAK3JAK1JAK2P2RX3

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
WO-2020108613-A1 HETEROAROMATIC DERIVATIVES FOR USE AS REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF 江苏豪森药业集团有限公司 2020-06-04 — — WO disclosed
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