SCHEMBL5493217

SCHEMBL5493217

CC(CO)Nc1nc(SCc2cccc(F)c2F)nc2nc(N)cnc12

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 4/20 0.70

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
SCHEMBL5498108 1.00 CXCR2 (1.00) CXCR2CCR7
SCHEMBL5497377 0.92 CXCR2 (0.86) CXCR2CCR7
SCHEMBL5492950 0.91 CXCR2 (0.83) CXCR2CCR7
SCHEMBL5498209 0.90 CXCR2 (0.82) CXCR2CCR7
SCHEMBL5492987 0.89 CXCR2 (0.80) CXCR2CCR7
SCHEMBL5998455 0.89 CXCR2 (0.80) CXCR2CCR7
SCHEMBL5499203 0.84 CXCR2 (0.73) CXCR2CCR7
SCHEMBL5495370 0.84 CXCR2 (0.73) CXCR2CCR7
SCHEMBL5191224 0.82 CXCR2 (0.69) CXCR2CCR7
SCHEMBL5499371 0.82 CXCR2 (0.69) 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-1328319-B1 7-AMINO-2-ALKYLTHIOPTERIDIN-4-YL-AMINES FOR THE TREATMENT OF CHEMOKINE-RELATED DISEASES ASTRAZENECA AB (SE) 2007-01-03 — — EP claimed
Send feedback