SCHEMBL7602817

SCHEMBL7602817

Cc1cccc(CSc2nc(NC(C)CO)c3nc(N)[nH]c3n2)c1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 18/20 0.53
CX3CR1 P49238 2/20 0.50
MAPK1 P28482 1/20 0.47
CCR7 P32248 3/20 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
SCHEMBL6352542 1.00 CXCR2 (0.53) CXCR2CX3CR1MAPK1CCR7
SCHEMBL6354297 0.89 CXCR2 (0.64) CXCR2CX3CR1CCR7
SCHEMBL6355072 0.89 CXCR2 (0.66) CXCR2CX3CR1CCR7
SCHEMBL6354650 0.88 CXCR2 (0.54) CXCR2CX3CR1CCR7
SCHEMBL6357058 0.88 CXCR2 (0.52) CXCR2CX3CR1CCR7
SCHEMBL3852955 0.84 CXCR2 (0.68) CXCR2CX3CR1MAPK1CCR7
SCHEMBL6353141 0.82 CXCR2 (0.55) CXCR2CX3CR1CCR7
SCHEMBL6354597 0.81 CXCR2 (0.45) CXCR2CX3CR1CCR7
SCHEMBL6360635 0.80 CXCR2 (0.75) CXCR2CCR7
SCHEMBL6353801 0.79 CXCR2 (0.65) CXCR2CCR7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1265899-A1 PYRIMIDINE COMPOUNDS AND THEIR USE AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY AstraZeneca AB (SE) 2002-12-18 EP disclosed
WO-2001058902-A1 PYRIMIDINE COMPOUNDS AND THEIR USE AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2001-08-16 WO disclosed