SCHEMBL6180260

SCHEMBL6180260

COc1nc(Br)cnc1N(COCC[Si](C)(C)C)S(=O)(=O)c1ccc(Cl)s1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 17/20 0.52
CCR5 P51681 2/20 0.52
MEN1 O00255 1/20 0.36
PABPC1 P11940 1/20 0.36
KMT2A Q03164 1/20 0.36
EDNRA P25101 1/20 0.35

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
SCHEMBL5139335 0.83 CCR5 (0.35) CCR4CCR5MEN1PABPC1KMT2A
SCHEMBL1733005 0.81 CCR4 (0.53) CCR4EDNRA
SCHEMBL30915591 0.72 EDNRA (0.37) CCR4KMT2AEDNRA
SCHEMBL4771395 0.72 EDNRA (0.37) CCR4KMT2AEDNRA
SCHEMBL1733387 0.72 CCR4 (0.52) CCR4
SCHEMBL356058 0.72 CCR4 (0.37) CCR4MEN1KMT2A
SCHEMBL1733274 0.72 CCR4 (0.52) CCR4EDNRA
SCHEMBL8026505 0.71 CCR4 (0.37) CCR4EDNRA
SCHEMBL7358178 0.71 CCR4 (0.39) CCR4EDNRA
SCHEMBL30743762 0.71 CCR4 (0.39) CCR4EDNRA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7410972-B2 Compounds ASTRAZENECA AB (SE) 2008-08-12 US disclosed
EP-1458715-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2005-12-07 EP disclosed
EP-1458715-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2004-09-22 EP disclosed
WO-2003051870-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2003-06-26 WO disclosed