SCHEMBL20142288

SCHEMBL20142288

N#Cc1ccc(C(=O)c2sc(Nc3ccc(S(N)(=O)=O)cc3)nc2N)cc1

nearest known ligand 0.83

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 19/20 0.83
CDK2 P24941 19/20 0.83
GSK3A P49840 1/20 0.75
GSK3B P49841 1/20 0.75
CCNE1 P24864 1/20 0.65

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
SCHEMBL20142463 0.91 GSK3A (0.89) CCNA2CDK2GSK3AGSK3B
SCHEMBL5725190 0.87 CCNA2 (0.91) CCNA2CDK2GSK3AGSK3BCCNE1
SCHEMBL20142196 0.87 GSK3A (0.81) CCNA2CDK2GSK3AGSK3B
SCHEMBL20142068 0.86 GSK3A (1.00) CCNA2CDK2GSK3AGSK3B
SCHEMBL20142363 0.86 CCNA2 (0.89) CCNA2CDK2CCNE1
SCHEMBL20142449 0.86 GSK3A (0.80) CCNA2CDK2GSK3AGSK3B
SCHEMBL20141893 0.86 GSK3A (0.80) CCNA2CDK2GSK3AGSK3B
SCHEMBL20142290 0.86 GSK3A (0.80) CCNA2CDK2GSK3AGSK3B
SCHEMBL20141891 0.86 GSK3A (0.80) CCNA2CDK2GSK3AGSK3B
SCHEMBL20142458 0.86 GSK3A (0.80) CCNA2CDK2GSK3AGSK3B

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