Sugi Predict

Sugi Predict / Compounds / SCHEMBL7607404

SCHEMBL7607404

SCHEMBL7607404

CC(C)(CO)CNc1nc(SCc2cccc(F)c2F)nc2[nH]c(=O)cnc12.CC(Nc1nc(SCc2cccc(F)c2F)nc2[nH]c(=O)cnc12)C(=O)O.C[C@@H](O)[C@@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2[nH]c(=O)cnc12

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CXCR2 P25025 20/20 0.65
▸ CCR7 P32248 3/20 0.44
▸ CX3CR1 P49238 1/20 0.43

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
SCHEMBL3870886 0.96 CXCR2 (0.71) CXCR2CCR7CX3CR1
SCHEMBL6341129 0.88 CXCR2 (0.84) CXCR2CCR7CX3CR1
SCHEMBL6341125 0.88 CXCR2 (0.84) CXCR2CCR7CX3CR1
SCHEMBL3852321 0.88 CXCR2 (0.70) CXCR2CCR7CX3CR1
SCHEMBL3856092 0.86 CXCR2 (0.80) CXCR2CCR7CX3CR1
SCHEMBL7511569 0.82 CXCR2 (0.68) CXCR2CCR7CX3CR1
SCHEMBL7507279 0.81 CXCR2 (0.69) CXCR2CCR7CX3CR1
SCHEMBL3857492 0.80 CXCR2 (0.78) CXCR2CCR7CX3CR1
SCHEMBL3849366 0.80 CXCR2 (1.00) CXCR2CCR7
SCHEMBL3849356 0.80 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1259512-A1 PTERIDINE COMPOUNDS FOR THE TREATMENT OF PSORIASIS AstraZeneca AB (SE) 2002-11-27 — — EP disclosed
WO-2001062758-A1 PTERIDINE COMPOUNDS FOR THE TREATMENT OF PSORIASIS ASTRAZENECA AB (SE) 2001-08-30 — — WO disclosed