SCHEMBL5191087

SCHEMBL5191087

Cc1ccc(CNc2nc3c(NCC(C)O)nc(SCc4cccc(F)c4F)nc3[nH]c2=O)o1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 20/20 0.50
CX3CR1 P49238 1/20 0.42
CCR7 P32248 6/20 0.41

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
SCHEMBL5190620 0.89 CXCR2 (0.65) CXCR2CCR7
SCHEMBL5193193 0.87 CXCR2 (0.53) CXCR2CX3CR1CCR7
SCHEMBL5190838 0.83 CXCR2 (0.71) CXCR2CCR7
SCHEMBL5189197 0.83 CXCR2 (0.71) CXCR2CCR7
SCHEMBL3851666 0.78 CXCR2 (0.75) CXCR2CX3CR1CCR7
SCHEMBL3851663 0.78 CXCR2 (0.75) CXCR2CX3CR1CCR7
SCHEMBL5191014 0.78 CXCR2 (0.49) CXCR2CX3CR1CCR7
SCHEMBL5189413 0.77 CXCR2 (0.66) CXCR2CCR7
SCHEMBL5190690 0.77 CXCR2 (0.63) CXCR2CCR7
SCHEMBL5191298 0.75 CXCR2 (0.69) 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
EP-1419158-B1 PTERIDINONE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2007-08-01 EP claimed