SCHEMBL14214570

SCHEMBL14214570

Cc1ccc(-c2nc(SCc3cccc(F)c3F)nc(O)c2N)cc1C

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 20/20 0.42
CXCR1 P25024 1/20 0.40
CCR7 P32248 1/20 0.38
CX3CR1 P49238 1/20 0.38

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
SCHEMBL14214648 0.86 CXCR2 (0.50) CXCR2CXCR1CCR7CX3CR1
SCHEMBL14214579 0.86 CXCR2 (0.47) CXCR2CXCR1CCR7CX3CR1
SCHEMBL14214649 0.85 CXCR2 (0.39) CXCR2CXCR1CCR7
SCHEMBL3606153 0.85 CXCR2 (0.54) CXCR2CX3CR1
SCHEMBL14214650 0.83 CXCR2 (0.51) CXCR2CXCR1CCR7
SCHEMBL14214577 0.83 CXCR2 (0.43) CXCR2CXCR1CCR7CX3CR1
SCHEMBL14214580 0.80 CXCR2 (0.41) CXCR2CXCR1CCR7CX3CR1
SCHEMBL14214572 0.80 CXCR2 (0.43) CXCR2CXCR1CCR7
SCHEMBL14214571 0.78 CXCR2 (0.52) CXCR2CXCR1
SCHEMBL14214462 0.77 CXCR2 (0.47) CXCR2CXCR1CCR7CX3CR1

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
WO-2008061740-A1 PYRIMIDINES AND THEIR USE AS CXCR2 RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2008-05-29 WO disclosed