SCHEMBL7004456

SCHEMBL7004456

CCOC(=O)[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2[nH]c(=O)cnc12

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 20/20 0.75
CCR7 P32248 4/20 0.49
CX3CR1 P49238 1/20 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
SCHEMBL3857492 0.89 CXCR2 (0.78) CXCR2CCR7CX3CR1
SCHEMBL3853081 0.86 CXCR2 (0.81) CXCR2CCR7CX3CR1
SCHEMBL3856676 0.86 CXCR2 (0.81) CXCR2CCR7CX3CR1
SCHEMBL3853077 0.86 CXCR2 (0.81) CXCR2CCR7CX3CR1
SCHEMBL3849356 0.86 CXCR2 (1.00) CXCR2CCR7
SCHEMBL3850612 0.86 CXCR2 (1.00) CXCR2CCR7
SCHEMBL3849366 0.86 CXCR2 (1.00) CXCR2CCR7
SCHEMBL3850892 0.85 CXCR2 (0.83) CXCR2CCR7CX3CR1
SCHEMBL3850323 0.85 CXCR2 (0.98) CXCR2CCR7
SCHEMBL3850313 0.85 CXCR2 (0.98) 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-1259512-B1 PTERIDINE COMPOUNDS FOR THE TREATMENT OF PSORIASIS ASTRAZENECA AB (SE) 2003-09-24 EP claimed