SCHEMBL31199207

SCHEMBL31199207

CC(C)C[C@H](CO)Nc1nc(SC(C)c2cccc(C#N)c2)nc2[nH]c(=O)sc12

nearest known ligand 0.84

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CX3CR1 P49238 19/20 0.84
CXCR2 P25025 19/20 0.84
ADORA1 P30542 1/20 0.51

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
SCHEMBL23828038 1.00 CX3CR1 (0.84) CX3CR1CXCR2ADORA1
SCHEMBL23828035 1.00 CX3CR1 (0.84) CX3CR1CXCR2ADORA1
SCHEMBL214888 1.00 CX3CR1 (0.84) CX3CR1CXCR2ADORA1
SCHEMBL211990 0.91 CXCR2 (1.00) CX3CR1CXCR2ADORA1
SCHEMBL23828048 0.89 CXCR2 (0.70) CX3CR1CXCR2ADORA1
SCHEMBL21615509 0.89 CXCR2 (0.70) CX3CR1CXCR2ADORA1
SCHEMBL214722 0.87 CXCR2 (0.80) CX3CR1CXCR2ADORA1
SCHEMBL213766 0.87 CXCR2 (1.00) CX3CR1CXCR2ADORA1
SCHEMBL212748 0.87 CXCR2 (1.00) CX3CR1CXCR2ADORA1
SCHEMBL213886 0.87 CXCR2 (1.00) CX3CR1CXCR2ADORA1

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-112867725-B Phosphate and phosphonate derivatives of 7-amino-5-thio-thiazolo [4,5-D ] pyrimidine modulators of CX3CR1 receptor and medical uses thereof 坎塞拉有限公司 2024-09-27 CN disclosed