SCHEMBL6658045

SCHEMBL6658045

NC(=O)c1nn(-c2ccc(OOS[AsH2])cc2)c2c1CCc1ccc(N)cc1-2

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 8/20 0.46
CDK2 P24941 8/20 0.46
CCNA1 P78396 8/20 0.46
IKBKB O14920 9/20 0.46
F10 P00742 3/20 0.41
AURKA O14965 1/20 0.41
F2 P00734 1/20 0.40

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
SCHEMBL5253419 0.91 CCNA2 (0.46) CCNA2CDK2CCNA1IKBKBF10
SCHEMBL5338107 0.81 IKBKB (0.51) CCNA2CDK2CCNA1IKBKB
SCHEMBL5346277 0.81 IKBKB (0.62) CCNA2CDK2CCNA1IKBKB
SCHEMBL14532972 0.81 CCNA2 (0.58) CCNA2CDK2CCNA1IKBKBAURKA
SCHEMBL6197538 0.80 IKBKB (0.52) CCNA2CDK2CCNA1IKBKB
SCHEMBL5339480 0.80 CCNA2 (0.63) CCNA2CDK2CCNA1IKBKBAURKA
SCHEMBL3858859 0.80 CCNA2 (0.43) CCNA2CDK2CCNA1IKBKB
SCHEMBL6346387 0.79 CCNA2 (0.50) CCNA2CDK2CCNA1F10F2
SCHEMBL5334053 0.79 CCNA2 (0.62) CCNA2CDK2CCNA1IKBKBAURKA
SCHEMBL5347307 0.78 CCNA2 (0.63) CCNA2CDK2CCNA1IKBKBF10

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-1444207-A2 SUBSTITUTED PYRAZOLYL-COMPOUNDS FOR THE TREATMENT OF INFLAMMATION Pharmacia Corporation (US) 2004-08-11 EP disclosed
WO-2003024935-A2 SUBSTITUTED PYRAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2003-03-27 WO disclosed