SCHEMBL20142363

SCHEMBL20142363

Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)sc1C(=O)c1ccc(Cl)cc1

nearest known ligand 0.89

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 18/20 0.89
CDK2 P24941 18/20 0.89
CCNE1 P24864 1/20 0.69
CDK5 Q00535 1/20 0.62
CDK5R1 Q15078 1/20 0.62
MEN1 O00255 1/20 0.61
NPC1 O15118 1/20 0.61
KMT2A Q03164 1/20 0.61

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
SCHEMBL4398263 0.91 CDK5 (0.72) CCNA2CDK2CDK5CDK5R1MEN1
SCHEMBL4393547 0.90 CCNA2 (0.71) CCNA2CDK2CCNE1CDK5CDK5R1
SCHEMBL5725190 0.90 CCNA2 (0.91) CCNA2CDK2CCNE1CDK5CDK5R1
SCHEMBL20142073 0.86 CCNA2 (0.68) CCNA2CDK2CDK5CDK5R1MEN1
SCHEMBL20142288 0.86 CCNA2 (0.83) CCNA2CDK2CCNE1
SCHEMBL20142148 0.85 GSK3A (0.73) CCNA2CDK2CDK5CDK5R1MEN1
SCHEMBL13633763 0.85 CDK5 (0.65) CCNA2CDK2CDK5CDK5R1MEN1
SCHEMBL20142403 0.85 CCNA2 (0.78) CCNA2CDK2CDK5CDK5R1MEN1
SCHEMBL20142846 0.85 CCNA2 (0.78) CCNA2CDK2CDK5CDK5R1MEN1
SCHEMBL4395265 0.85 GSK3A (0.73) CCNA2CDK2CDK5CDK5R1MEN1

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
WO-2018089902-A1 DIAMINOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE APOGEE BIOTECHNOLOGY CORPORATION (US) 2018-05-17 WO claimed
WO-2018089902-A1 DIAMINOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE APOGEE BIOTECHNOLOGY CORPORATION (US) 2018-05-17 WO disclosed