SCHEMBL7517601

SCHEMBL7517601

CC(C)CC(CO)Nc1nc(SCc2cccc(F)c2F)nc2[nH]c(=O)cnc12.O=c1cnc2c(NCCCCCCO)nc(SCc3cccc(F)c3F)nc2[nH]1

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 20/20 0.70
CX3CR1 P49238 2/20 0.61
CCR7 P32248 6/20 0.51

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
SCHEMBL7510521 0.93 CXCR2 (0.69) CXCR2CX3CR1CCR7
SCHEMBL3852527 0.93 CXCR2 (0.81) CXCR2CX3CR1CCR7
SCHEMBL3852519 0.93 CXCR2 (0.81) CXCR2CX3CR1CCR7
SCHEMBL3850796 0.90 CXCR2 (0.68) CXCR2CX3CR1CCR7
SCHEMBL3851875 0.90 CXCR2 (0.68) CXCR2CX3CR1CCR7
SCHEMBL3861386 0.89 CXCR2 (0.69) CXCR2CX3CR1CCR7
SCHEMBL7551277 0.89 CXCR2 (0.74) CXCR2CX3CR1CCR7
SCHEMBL3851505 0.88 CXCR2 (0.71) CXCR2CX3CR1CCR7
SCHEMBL3850892 0.86 CXCR2 (0.83) CXCR2CX3CR1CCR7
SCHEMBL3856676 0.84 CXCR2 (0.81) CXCR2CX3CR1CCR7

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