Sugi Predict

Sugi Predict / Compounds / SCHEMBL7515166

SCHEMBL7515166

SCHEMBL7515166

CCN(CC)CCNc1nc(SCc2cccc(F)c2F)nc2[nH]c(=O)cnc12.COC(CNc1nc(SCc2cccc(F)c2F)nc2[nH]c(=O)cnc12)OC.O=c1cnc2c(N(CCO)CCO)nc(SCc3cccc(F)c3F)nc2[nH]1.O=c1cnc2c(NCCOCCO)nc(SCc3cccc(F)c3F)nc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CXCR2 P25025 20/20 0.52
▸ CCR7 P32248 5/20 0.41
▸ CX3CR1 P49238 1/20 0.37

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
SCHEMBL3851831 0.84 CXCR2 (0.66) CXCR2CCR7CX3CR1
SCHEMBL3849120 0.82 CXCR2 (0.68) CXCR2CCR7CX3CR1
SCHEMBL3851525 0.82 CXCR2 (0.66) CXCR2CCR7CX3CR1
SCHEMBL3852787 0.80 CXCR2 (0.62) CXCR2CCR7CX3CR1
SCHEMBL3857366 0.80 CXCR2 (0.64) CXCR2CCR7CX3CR1
SCHEMBL7250805 0.77 CXCR2 (0.59) CXCR2CCR7CX3CR1
SCHEMBL3851449 0.76 CXCR2 (0.73) CXCR2CCR7CX3CR1
SCHEMBL3851505 0.75 CXCR2 (0.71) CXCR2CCR7CX3CR1
SCHEMBL3861386 0.74 CXCR2 (0.69) CXCR2CCR7CX3CR1
SCHEMBL3851663 0.74 CXCR2 (0.75) CXCR2CCR7CX3CR1

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