SCHEMBL7005047

SCHEMBL7005047

C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2[nH]ncc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 20/20 1.00
CCR7 P32248 3/20 0.69

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
SCHEMBL7596612 0.83 CXCR2 (0.70) CXCR2CCR7
SCHEMBL4084677 0.81 CXCR2 (0.70) CXCR2CCR7
SCHEMBL7005657 0.80 CXCR2 (0.66) CXCR2CCR7
SCHEMBL5256624 0.80 CXCR2 (0.70) CXCR2CCR7
SCHEMBL5191224 0.80 CXCR2 (0.69) CXCR2CCR7
SCHEMBL6360635 0.80 CXCR2 (0.75) CXCR2CCR7
SCHEMBL3849356 0.79 CXCR2 (1.00) CXCR2CCR7
SCHEMBL3849366 0.79 CXCR2 (1.00) CXCR2CCR7
SCHEMBL5951464 0.79 CXCR2 (0.80) CXCR2CCR7
SCHEMBL3850612 0.79 CXCR2 (1.00) 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 4 patents. 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 claimed
EP-1257555-B1 PYRIMIDINE COMPOUNDS AND THEIR USE AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2003-12-03 EP disclosed
EP-1257555-A1 PYRIMIDINE COMPOUNDS AND THEIR USE AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY AstraZeneca AB (SE) 2002-11-20 EP disclosed
WO-2001058906-A1 PYRIMIDINE COMPOUNDS AND THEIR USE AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2001-08-16 WO disclosed