SCHEMBL6360695

SCHEMBL6360695

CCC(CO)Nc1nc(SCc2cccc(F)c2F)nc2[nH]c(N)nc12

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 20/20 0.70
CCR7 P32248 3/20 0.70
CX3CR1 P49238 2/20 0.56

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
SCHEMBL6352231 1.00 CXCR2 (0.70) CXCR2CCR7CX3CR1
SCHEMBL6353547 0.94 CXCR2 (0.63) CXCR2CCR7CX3CR1
SCHEMBL6360635 0.89 CXCR2 (0.75) CXCR2CCR7
SCHEMBL3853081 0.85 CXCR2 (0.81) CXCR2CCR7CX3CR1
SCHEMBL3853077 0.85 CXCR2 (0.81) CXCR2CCR7CX3CR1
SCHEMBL3856676 0.85 CXCR2 (0.81) CXCR2CCR7CX3CR1
SCHEMBL5998455 0.83 CXCR2 (0.80) CXCR2CCR7CX3CR1
SCHEMBL5492987 0.83 CXCR2 (0.80) CXCR2CCR7CX3CR1
SCHEMBL6351841 0.82 CXCR2 (0.67) CXCR2CCR7CX3CR1
SCHEMBL6360524 0.81 CXCR2 (0.64) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6958344-B2 Pyrimidine compounds and their use as modulators of chemokine receptor activity ASTRAZENECA AB (SE) 2005-10-25 US claimed