SCHEMBL6661725

SCHEMBL6661725

NC(=O)c1nn(-c2ccc(S(N)(=O)=O)cc2)c2c1CCc1cnc(N)nc1-2

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 19/20 0.71
CDK2 P24941 19/20 0.71
CCNA1 P78396 16/20 0.71
AURKA O14965 13/20 0.71
IKBKB O14920 1/20 0.57
PLK1 P53350 3/20 0.51
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
CDK4 P11802 4/20 0.47
CCND3 P30281 4/20 0.47
CDK6 Q00534 4/20 0.47
PLK3 Q9H4B4 2/20 0.47
PLK2 Q9NYY3 2/20 0.47
TTK P33981 1/20 0.47

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
SCHEMBL15300328 0.87 CCNA2 (0.56) CCNA2CDK2CCNA1AURKAIKBKB
SCHEMBL15300318 0.84 CCNA2 (0.53) CCNA2CDK2CCNA1AURKAIKBKB
SCHEMBL6665468 0.78 CCNA2 (0.72) CCNA2CDK2CCNA1AURKAIKBKB
SCHEMBL3503440 0.78 CCNA2 (0.65) CCNA2CDK2CCNA1AURKAPLK1
SCHEMBL5334053 0.77 CCNA2 (0.62) CCNA2CDK2CCNA1AURKAIKBKB
SCHEMBL6794909 0.77 CCNA2 (0.62) CCNA2CDK2CCNA1AURKAIKBKB
SCHEMBL6663541 0.77 CCNA2 (0.65) CCNA2CDK2CCNA1AURKAIKBKB
SCHEMBL6791456 0.75 CCNA2 (0.62) CCNA2CDK2CCNA1AURKAIKBKB
SCHEMBL5343708 0.73 IKBKB (0.57) CCNA2CDK2CCNA1AURKAIKBKB
SCHEMBL5227494 0.73 CCNA2 (1.00) CCNA2CDK2CCNA1IKBKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1636236-B1 PYRAZOLO-QUINAZOLINE DERIVATIVES,PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2013-10-09 EP claimed
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-1636236-B1 PYRAZOLO-QUINAZOLINE DERIVATIVES,PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2013-10-09 EP disclosed
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