SCHEMBL20865604

SCHEMBL20865604

CC(C)c1coc(CNc2c(Nc3cccc(C=O)c3O)c(=O)c2=O)c1

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 20/20 0.48
CXCR1 P25024 17/20 0.48

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
SCHEMBL248850 0.82 CXCR2 (0.72) CXCR2CXCR1
SCHEMBL14319675 0.70 CXCR2 (0.36) CXCR2CXCR1
SCHEMBL247336 0.69 CXCR2 (0.74) CXCR2CXCR1
SCHEMBL20865524 0.67 CXCR1 (0.81) CXCR2CXCR1
SCHEMBL20760855 0.66 GAA (0.64) CXCR2CXCR1
SCHEMBL18870051 0.65 CXCR2 (0.66) CXCR2CXCR1
SCHEMBL12087245 0.65 CXCR2 (1.00) CXCR2CXCR1
SCHEMBL22388654 0.65 CXCR1 (1.00) CXCR2CXCR1
SCHEMBL14100317 0.65 CXCR1 (0.59) CXCR2CXCR1
SCHEMBL12086761 0.65 CXCR1 (1.00) CXCR2CXCR1

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-2019067332-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER WITH A COMBINATION OF PROGRAMMED DEATH RECEPTOR (PD-1) ANTIBODIES AND A CXCR2 ANTAGONIST MERCK SHARP & DOHME CORP. (US) 2019-04-04 WO disclosed