SCHEMBL6662893

SCHEMBL6662893

NC(=O)c1nn(-c2ccc(S(N)(=O)=O)cc2)c2c1CCc1c-2ccn1Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 11/20 0.56
CDK2 P24941 11/20 0.56
CCNA1 P78396 11/20 0.56
IKBKB O14920 1/20 0.56
PTGS2 P35354 6/20 0.47
PTGS1 P23219 4/20 0.47
AURKA O14965 2/20 0.45
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA9 Q16790 3/20 0.41
CA4 P22748 2/20 0.41
CA12 O43570 1/20 0.39

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
SCHEMBL6660064 0.88 CA9 (0.50) CCNA2CDK2CCNA1IKBKBPTGS2
SCHEMBL6661004 0.85 CCNA2 (0.59) CCNA2CDK2CCNA1IKBKBPTGS2
SCHEMBL5336472 0.76 IKBKB (0.52) CCNA2CDK2CCNA1IKBKBPTGS2
SCHEMBL6787577 0.75 CCNA2 (0.47) CCNA2CDK2CCNA1IKBKBPTGS2
SCHEMBL5337556 0.74 IKBKB (0.51) CCNA2CDK2CCNA1IKBKBPTGS2
SCHEMBL5337161 0.74 IKBKB (0.52) CCNA2CDK2CCNA1IKBKBPTGS2
SCHEMBL6795570 0.74 CCNA2 (0.59) CCNA2CDK2CCNA1IKBKBAURKA
SCHEMBL6634331 0.74 CCNA2 (0.49) CCNA2CDK2CCNA1IKBKBCA1
SCHEMBL6659189 0.74 CCNA2 (0.64) CCNA2CDK2CCNA1IKBKBPTGS2
SCHEMBL6663541 0.72 CCNA2 (0.65) CCNA2CDK2CCNA1IKBKBPTGS2

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
EP-1476431-A1 TRICYCLIC PYRAZOLE DERIVATIVES FOR THE TREATMENT OF INFLAMMATION Pharmacia Corporation (US) 2004-11-17 EP claimed
WO-2003070706-A1 TRICYCLIC PYRAZOLE DERIVATIVES FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2003-08-28 WO claimed
EP-1476431-A1 TRICYCLIC PYRAZOLE DERIVATIVES FOR THE TREATMENT OF INFLAMMATION Pharmacia Corporation (US) 2004-11-17 EP disclosed
WO-2003070706-A1 TRICYCLIC PYRAZOLE DERIVATIVES FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2003-08-28 WO disclosed