SCHEMBL7005657

SCHEMBL7005657

Oc1nc(SCc2cccc(F)c2F)nc2[nH]ncc12

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 19/20 0.66
CCR7 P32248 8/20 0.50
TP53 P04637 1/20 0.45

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
SCHEMBL7008307 0.86 CXCR2 (0.63) CXCR2CCR7TP53
SCHEMBL23510063 0.81 MEN1 (0.53) CXCR2TP53
SCHEMBL7005047 0.80 CXCR2 (1.00) CXCR2CCR7
SCHEMBL490245 0.74 CXCR2 (0.50) CXCR2CCR7
SCHEMBL6353452 0.72 CXCR2 (0.44) CXCR2CCR7
SCHEMBL14214462 0.70 CXCR2 (0.47) CXCR2CCR7
SCHEMBL14214579 0.70 CXCR2 (0.47) CXCR2CCR7
SCHEMBL3605166 0.69 CXCR2 (0.59) CXCR2
SCHEMBL4084677 0.69 CXCR2 (0.70) CXCR2CCR7
SCHEMBL2899683 0.69 NPC1 (0.48) 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-1257555-B1 PYRIMIDINE COMPOUNDS AND THEIR USE AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2003-12-03 EP disclosed