SCHEMBL22055332

SCHEMBL22055332

CCC1CC(Nc2cc3ncccc3c(Nc3cc(C)[nH]n3)n2)CC(CC)N1CCC#N

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 20/20 0.71
▸ TYK2 P29597 19/20 0.71
▸ JAK1 P23458 14/20 0.71
▸ JAK2 O60674 12/20 0.71
▸ P2RX3 P56373 1/20 0.52
▸ P2RX2 Q9UBL9 1/20 0.52

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
SCHEMBL21229884 0.94 JAK3 (0.81) JAK3TYK2JAK1JAK2P2RX3
SCHEMBL24337135 0.94 JAK3 (0.81) JAK3TYK2JAK1JAK2P2RX3
SCHEMBL30227562 0.90 TYK2 (0.88) JAK3TYK2JAK1JAK2P2RX3
SCHEMBL23878986 0.90 TYK2 (0.88) JAK3TYK2JAK1JAK2P2RX3
SCHEMBL22055331 0.90 TYK2 (0.88) JAK3TYK2JAK1JAK2P2RX3
SCHEMBL24995642 0.90 TYK2 (0.88) JAK3TYK2JAK1JAK2P2RX3
SCHEMBL24336999 0.89 JAK3 (0.77) JAK3TYK2JAK1JAK2P2RX3
SCHEMBL24336992 0.89 JAK3 (0.77) JAK3TYK2JAK1JAK2P2RX3
SCHEMBL24690098 0.89 JAK3 (0.77) JAK3TYK2JAK1JAK2P2RX3
SCHEMBL25594366 0.89 JAK3 (0.77) JAK3TYK2JAK1JAK2P2RX3

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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