SCHEMBL20142286

SCHEMBL20142286

COc1ccc(Nc2nc(N)c(C(=O)c3cccc(C#N)c3)s2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 1/20 0.72
CCNA2 P20248 4/20 0.71
CDK2 P24941 4/20 0.71
CDK5 Q00535 8/20 0.70
CDK5R1 Q15078 8/20 0.70
MEN1 O00255 4/20 0.69
KMT2A Q03164 4/20 0.69
NPC1 O15118 2/20 0.69
TUBB8B A6NNZ2 1/20 0.68
TUBB4A P04350 1/20 0.68
TUBB P07437 1/20 0.68
TUBB4B P68371 1/20 0.68
TUBB3 Q13509 1/20 0.68
TUBB2A Q13885 1/20 0.68
TUBB8 Q3ZCM7 1/20 0.68
TUBB6 Q9BUF5 1/20 0.68
TUBB2B Q9BVA1 1/20 0.68
TUBB1 Q9H4B7 1/20 0.68
SPHK2 Q9NRA0 1/20 0.68
SPHK1 Q9NYA1 1/20 0.68

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
SCHEMBL4481106 0.90 CCNA2 (0.77) ZAP70CCNA2CDK2CDK5CDK5R1
SCHEMBL4470938 0.90 CDK5 (0.72) ZAP70CCNA2CDK2CDK5CDK5R1
SCHEMBL20142440 0.90 GSK3A (0.77) ZAP70CCNA2CDK2CDK5CDK5R1
SCHEMBL4478062 0.90 CCNA2 (0.87) ZAP70CCNA2CDK2CDK5CDK5R1
SCHEMBL6179397 0.88 ZAP70 (0.65) ZAP70CCNA2CDK2CDK5CDK5R1
SCHEMBL25609561 0.88 CCNA2 (0.67) ZAP70CCNA2CDK2CDK5CDK5R1
SCHEMBL20142355 0.88 CCNA2 (0.64) ZAP70CCNA2CDK2CDK5CDK5R1
SCHEMBL20142382 0.88 MEN1 (0.83) ZAP70CCNA2CDK2CDK5CDK5R1
SCHEMBL20142430 0.87 GSK3A (0.61) ZAP70CCNA2CDK2CDK5CDK5R1
SCHEMBL20142510 0.86 ZAP70 (0.55) ZAP70CCNA2CDK2CDK5CDK5R1

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