SCHEMBL6991839

SCHEMBL6991839

CCNc1nc(SCc2ccccc2)nc2nc(NCCOCCO)sc12

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PAK4 O96013 2/20 0.57
CXCR2 P25025 14/20 0.48
CX3CR1 P49238 12/20 0.48
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL6864085 0.89 CX3CR1 (0.55) PAK4CXCR2CX3CR1
SCHEMBL6865593 0.87 CXCR2 (0.67) PAK4CXCR2CX3CR1
SCHEMBL6866675 0.87 CXCR2 (0.66) PAK4CXCR2CX3CR1
SCHEMBL6865683 0.87 CXCR2 (0.57) PAK4CXCR2CX3CR1CYP1A2CYP3A4
SCHEMBL6865140 0.85 PAK4 (0.56) PAK4CXCR2CX3CR1CYP1A2MAPT
SCHEMBL6866196 0.85 CX3CR1 (0.69) CXCR2CX3CR1
SCHEMBL6868892 0.77 PAK4 (0.48) PAK4CXCR2CX3CR1
SCHEMBL6869027 0.77 CXCR2 (0.61) PAK4CXCR2CX3CR1
SCHEMBL6865125 0.77 PAK4 (0.66) PAK4CXCR2CX3CR1CYP1A2MAPT
SCHEMBL6863672 0.77 PAK4 (0.62) PAK4CXCR2CX3CR1CYP1A2MAPT

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-1104425-B1 NOVEL THIAZOLOPYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2003-01-29 EP claimed