SCHEMBL20141867

SCHEMBL20141867

Cc1cccc(Nc2nc(N)c(C(=O)c3cccc(C#N)c3)s2)c1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 2/20 0.63
GSK3B P49841 2/20 0.63
CCNA2 P20248 7/20 0.60
CDK2 P24941 7/20 0.60
CDK5 Q00535 8/20 0.59
CDK5R1 Q15078 8/20 0.59
MAPT P10636 3/20 0.57
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
MAPK14 Q16539 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
ZAP70 P43403 1/20 0.55
CHRNA7 P36544 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53

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 0.91 GSK3A (0.77) GSK3AGSK3BCCNA2CDK2CDK5
SCHEMBL20142500 0.91 GSK3A (0.77) GSK3AGSK3BCCNA2CDK2CDK5
SCHEMBL20142416 0.89 GSK3A (0.62) GSK3AGSK3BCCNA2CDK2CDK5
SCHEMBL4481106 0.87 CCNA2 (0.77) GSK3AGSK3BCCNA2CDK2CDK5
SCHEMBL20142094 0.86 RAB9A (0.50) GSK3AGSK3BCCNA2CDK2CDK5
SCHEMBL25609668 0.86 CCNA2 (0.77) GSK3AGSK3BCCNA2CDK2CDK5
SCHEMBL31415148 0.86 CCNA2 (0.77) GSK3AGSK3BCCNA2CDK2CDK5
SCHEMBL4483833 0.86 CCNA2 (0.75) GSK3AGSK3BCCNA2CDK2CDK5
SCHEMBL20142286 0.85 ZAP70 (0.72) GSK3AGSK3BCCNA2CDK2CDK5
SCHEMBL25609561 0.84 CCNA2 (0.67) GSK3AGSK3BCCNA2CDK2CDK5

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