SCHEMBL6865962

SCHEMBL6865962

CCC[C@@H](CO)CNc1nc(SCc2ccccc2)nc2nc(NCCc3c[nH]cn3)sc12

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 15/20 0.49
CX3CR1 P49238 14/20 0.49
PAK4 O96013 2/20 0.45

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
SCHEMBL6865117 0.87 CX3CR1 (0.47) CXCR2CX3CR1PAK4
SCHEMBL6868892 0.86 PAK4 (0.48) CXCR2CX3CR1PAK4
SCHEMBL6865958 0.86 CXCR2 (0.63) CXCR2CX3CR1PAK4
SCHEMBL6864157 0.85 CXCR2 (0.63) CXCR2CX3CR1
SCHEMBL6866394 0.83 CX3CR1 (0.65) CXCR2CX3CR1
SCHEMBL6865575 0.82 PAK4 (0.54) CXCR2CX3CR1PAK4
SCHEMBL6865975 0.82 CXCR2 (0.52) CXCR2CX3CR1PAK4
SCHEMBL6865151 0.79 PAK4 (0.53) CXCR2CX3CR1PAK4
SCHEMBL6863872 0.79 PAK4 (0.56) CXCR2CX3CR1PAK4
SCHEMBL6859478 0.79 PAK4 (0.44) CXCR2CX3CR1PAK4

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
US-6806273-B1 5-THIO-THIAZOLO(4,5-D)PYRIMIDIN-7-YL DERIVATIVES; CHEMOKINE RECEPTOR (ESPECIALLY CXCR2) ACTIVITY MODULATORS ASTRAZENECA AB (SE) 2004-10-19 US disclosed