SCHEMBL22054536

SCHEMBL22054536

CCC1CC(Nc2nc(Nc3cc(C)[nH]n3)cc3ncccc23)CC(CC)N1CC1CCC1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 20/20 0.68
▸ JAK3 P52333 20/20 0.68
▸ P2RX3 P56373 1/20 0.68
▸ P2RX2 Q9UBL9 1/20 0.68
▸ JAK1 P23458 16/20 0.67
▸ JAK2 O60674 15/20 0.67

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
SCHEMBL22054143 0.94 TYK2 (0.66) TYK2JAK3P2RX3P2RX2JAK1
SCHEMBL22054152 0.92 TYK2 (0.64) TYK2JAK3P2RX3P2RX2JAK1
SCHEMBL22055337 0.87 TYK2 (0.63) TYK2JAK3P2RX3P2RX2JAK1
SCHEMBL23878784 0.85 TYK2 (0.77) TYK2JAK3P2RX3P2RX2JAK1
SCHEMBL22054141 0.85 TYK2 (0.77) TYK2JAK3P2RX3P2RX2JAK1
SCHEMBL24995476 0.85 TYK2 (0.77) TYK2JAK3P2RX3P2RX2JAK1
SCHEMBL24337135 0.85 JAK3 (0.81) TYK2JAK3P2RX3P2RX2JAK1
SCHEMBL21229884 0.85 JAK3 (0.81) TYK2JAK3P2RX3P2RX2JAK1
SCHEMBL21676287 0.84 TYK2 (0.79) TYK2JAK3P2RX3P2RX2JAK1
SCHEMBL24337195 0.84 TYK2 (0.64) TYK2JAK3P2RX3P2RX2JAK1

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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