SCHEMBL20142355

SCHEMBL20142355

N#Cc1cccc(C(=O)c2sc(Nc3ccc(C(=O)O)cc3)nc2N)c1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 13/20 0.64
CDK2 P24941 13/20 0.64
GSK3A P49840 2/20 0.64
GSK3B P49841 2/20 0.64
CDK5 Q00535 5/20 0.61
CDK5R1 Q15078 5/20 0.61
NPC1 O15118 1/20 0.61
MAPT P10636 1/20 0.61
RAB9A P51151 1/20 0.61
MAPK14 Q16539 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
ZAP70 P43403 1/20 0.58
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56

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
SCHEMBL20142440 0.90 GSK3A (0.77) CCNA2CDK2GSK3AGSK3BCDK5
SCHEMBL25609561 0.90 CCNA2 (0.67) CCNA2CDK2GSK3AGSK3BCDK5
SCHEMBL20142196 0.88 GSK3A (0.81) CCNA2CDK2GSK3AGSK3BCDK5
SCHEMBL20142286 0.88 ZAP70 (0.72) CCNA2CDK2GSK3AGSK3BCDK5
SCHEMBL20142166 0.87 CCNA2 (0.66) CCNA2CDK2GSK3AGSK3BCDK5
SCHEMBL20142430 0.87 GSK3A (0.61) CCNA2CDK2GSK3AGSK3BCDK5
SCHEMBL20142416 0.86 GSK3A (0.62) CCNA2CDK2GSK3AGSK3BCDK5
SCHEMBL20142475 0.85 GSK3A (0.48) CCNA2CDK2GSK3AGSK3BCDK5
SCHEMBL25609556 0.85 GSK3A (0.79) CCNA2CDK2GSK3AGSK3BCDK5
SCHEMBL20141867 0.84 GSK3A (0.63) CCNA2CDK2GSK3AGSK3BCDK5

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