SCHEMBL5040480

SCHEMBL5040480

CC(C)(O)Nc1nc(SCc2ccccc2)nc2[nH]c(=O)sc12.[NaH]

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 16/20 0.67
CX3CR1 P49238 11/20 0.67
HTR1B P28222 1/20 0.45
PAK4 O96013 1/20 0.42
CTSB P07858 2/20 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
SCHEMBL842337 0.88 CXCR2 (0.68) CXCR2CX3CR1HTR1BPAK4
SCHEMBL841953 0.81 CXCR2 (0.98) CXCR2CX3CR1HTR1B
SCHEMBL842205 0.81 CXCR2 (0.86) CXCR2CX3CR1HTR1B
SCHEMBL841943 0.80 CXCR2 (1.00) CXCR2CX3CR1HTR1B
SCHEMBL841944 0.80 CXCR2 (1.00) CXCR2CX3CR1HTR1B
SCHEMBL6704358 0.80 CXCR2 (0.80) CXCR2CX3CR1HTR1B
SCHEMBL842338 0.80 CXCR2 (0.88) CXCR2CX3CR1HTR1B
SCHEMBL841954 0.79 CXCR2 (0.98) CXCR2CX3CR1HTR1B
SCHEMBL842206 0.79 CXCR2 (0.86) CXCR2CX3CR1HTR1B
SCHEMBL841882 0.78 CXCR2 (1.00) CXCR2CX3CR1HTR1B

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-1348709-B1 Thiazolo[4,5-d]pyrimidine compounds for the treatment of rheumatoid arthritis ASTRAZENECA UK LTD (GB) 2008-01-16 EP claimed