SCHEMBL31199187

SCHEMBL31199187

CC(C)C[C@H](CO)Nc1nc(SC(C)c2ccccc2Cl)nc2[nH]c(=O)sc12

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 20/20 0.77
CX3CR1 P49238 19/20 0.77
HTR1B P28222 1/20 0.51
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
SCHEMBL23828012 1.00 CXCR2 (0.77) CXCR2CX3CR1HTR1BADORA1
SCHEMBL23828009 1.00 CXCR2 (0.77) CXCR2CX3CR1HTR1BADORA1
SCHEMBL213072 0.89 CXCR2 (0.80) CXCR2CX3CR1ADORA1
SCHEMBL23828030 0.88 CXCR2 (0.61) CXCR2CX3CR1HTR1BADORA1
SCHEMBL21615418 0.88 CXCR2 (0.61) CXCR2CX3CR1HTR1BADORA1
SCHEMBL213766 0.87 CXCR2 (1.00) CXCR2CX3CR1ADORA1
SCHEMBL4129653 0.87 CXCR2 (1.00) CXCR2CX3CR1ADORA1
SCHEMBL212748 0.87 CXCR2 (1.00) CXCR2CX3CR1ADORA1
SCHEMBL213886 0.87 CXCR2 (1.00) CXCR2CX3CR1ADORA1
SCHEMBL212230 0.87 CXCR2 (0.73) CXCR2CX3CR1ADORA1

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