SCHEMBL31199049

SCHEMBL31199049

CC(C)C[C@H](COP(=O)(O)O)Nc1nc(S[C@@H](C)c2ccccc2)nc2nc(N)sc12

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CX3CR1 P49238 20/20 0.75
CXCR2 P25025 17/20 0.75
ADORA1 P30542 1/20 0.75

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
SCHEMBL23828060 1.00 CX3CR1 (0.75) CX3CR1CXCR2ADORA1
SCHEMBL23828059 1.00 CX3CR1 (0.75) CX3CR1CXCR2ADORA1
SCHEMBL23828063 1.00 CX3CR1 (0.75) CX3CR1CXCR2ADORA1
SCHEMBL23828073 0.93 CX3CR1 (0.71) CX3CR1CXCR2ADORA1
SCHEMBL21615403 0.93 CX3CR1 (0.71) CX3CR1CXCR2ADORA1
SCHEMBL23828072 0.93 CX3CR1 (0.71) CX3CR1CXCR2ADORA1
SCHEMBL23828056 0.91 CX3CR1 (0.71) CX3CR1CXCR2ADORA1
SCHEMBL21615397 0.91 CX3CR1 (0.71) CX3CR1CXCR2ADORA1
SCHEMBL23828057 0.91 CX3CR1 (0.71) CX3CR1CXCR2ADORA1
SCHEMBL31643305 0.91 CX3CR1 (0.71) 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 claimed