SCHEMBL6053129

SCHEMBL6053129

Cn1nc(C(=O)O)c2c1-c1nc(Nc3cc[nH]n3)ncc1CC2

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 19/20 0.70
CDK2 P24941 19/20 0.70
CCNA1 P78396 12/20 0.70
PLK1 P53350 9/20 0.70
AURKA O14965 8/20 0.70
CDK4 P11802 10/20 0.60
CCND3 P30281 10/20 0.60
CDK6 Q00534 9/20 0.60
TTK P33981 2/20 0.60
PLK3 Q9H4B4 2/20 0.60
PLK2 Q9NYY3 2/20 0.60

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
SCHEMBL4171275 0.91 CCNA2 (0.69) CCNA2CDK2CCNA1PLK1AURKA
SCHEMBL4167225 0.88 CCNA2 (0.73) CCNA2CDK2CCNA1PLK1AURKA
SCHEMBL4154945 0.83 CDK2 (1.00) CCNA2CDK2CCNA1PLK1AURKA
SCHEMBL6052853 0.81 CDK2 (0.84) CCNA2CDK2CCNA1PLK1AURKA
SCHEMBL23855770 0.80 CDK2 (0.84) CCNA2CDK2CCNA1PLK1AURKA
SCHEMBL1894768 0.79 PLK1 (0.84) CCNA2CDK2CCNA1PLK1AURKA
SCHEMBL6053077 0.77 CDK2 (0.68) CCNA2CDK2CCNA1PLK1AURKA
SCHEMBL6052980 0.76 CCNA2 (0.83) CCNA2CDK2CCNA1PLK1AURKA
SCHEMBL4157048 0.74 CCNA2 (0.77) CCNA2CDK2CCNA1PLK1AURKA
SCHEMBL4152035 0.74 CDK2 (1.00) CCNA2CDK2CCNA1PLK1AURKA

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-1636236-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES,PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2006-03-22 EP disclosed
WO-2004104007-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES,PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2004-12-02 WO disclosed