SCHEMBL13675233

SCHEMBL13675233

Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)sc1C(=O)O

nearest known ligand 0.82

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 20/20 0.82
CDK2 P24941 20/20 0.82
CCNE1 P24864 2/20 0.65
CCNK O75909 1/20 0.62
CDK1 P06493 1/20 0.62
CDK4 P11802 1/20 0.62
CCNB1 P14635 1/20 0.62
CCND1 P24385 1/20 0.62
GSK3B P49841 1/20 0.62
CDK9 P50750 1/20 0.62
CCNA1 P78396 1/20 0.62
CDK3 Q00526 1/20 0.62
CDK6 Q00534 1/20 0.62
CDK5 Q00535 1/20 0.62
CDK5R1 Q15078 1/20 0.62

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
SCHEMBL5725190 0.88 CCNA2 (0.91) CCNA2CDK2CCNE1GSK3BCDK5
SCHEMBL6188285 0.86 CCNA2 (0.78) CCNA2CDK2CCNE1CCNKCDK1
SCHEMBL4479206 0.86 CCNA2 (0.77) CCNA2CDK2CCNE1CCNKCDK1
SCHEMBL6191118 0.85 CCNA2 (0.75) CCNA2CDK2CCNE1CCNKCDK1
SCHEMBL6196988 0.85 CCNA2 (0.75) CCNA2CDK2CCNE1CCNKCDK1
SCHEMBL6194405 0.84 CCNA2 (0.73) CCNA2CDK2CCNE1CCNKCDK1
SCHEMBL7757552 0.83 CCNA2 (0.76) CCNA2CDK2GSK3BCDK5CDK5R1
SCHEMBL20142363 0.82 CCNA2 (0.89) CCNA2CDK2CCNE1CDK5CDK5R1
SCHEMBL5725900 0.82 CCNA2 (0.73) CCNA2CDK2CCNE1CCNKCDK1
SCHEMBL6699601 0.81 CCNA2 (0.72) CCNA2CDK2CCNE1CCNKCDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7605154-B2 ATP-protein kinase inhibitors; cytomegalovirus; contraceptive agents; cancer; N7-(3-ethynyl-phenyl)-N2-(4-piperidin-1-ylmethyl-phenyl)-thiazolo[4,5-d]pyrimidine-2,7-diamine JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-20 US disclosed