SCHEMBL20142839

SCHEMBL20142839

CCOC(=O)c1ccc(Nc2nc(N)c(C(=O)c3ccc(C#N)cc3)s2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 2/20 0.77
GSK3B P49841 2/20 0.77
CCNA2 P20248 6/20 0.62
CDK2 P24941 6/20 0.62
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
NPC1 O15118 3/20 0.60
ZAP70 P43403 1/20 0.56
DHODH Q02127 1/20 0.56
CDK5 Q00535 5/20 0.54
CDK5R1 Q15078 5/20 0.54
MAPT P10636 4/20 0.54
LMNA P02545 1/20 0.54
RAB9A P51151 1/20 0.53
MAPK14 Q16539 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
TUBB8B A6NNZ2 1/20 0.52
TUBB4A P04350 1/20 0.52
TUBB P07437 1/20 0.52
TUBB4B P68371 1/20 0.52

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
SCHEMBL20142470 0.90 GSK3A (0.80) GSK3AGSK3BCCNA2CDK2MEN1
SCHEMBL20142463 0.88 GSK3A (0.89) GSK3AGSK3BCCNA2CDK2MEN1
SCHEMBL3817965 0.88 CCNA2 (0.70) GSK3AGSK3BCCNA2CDK2MEN1
SCHEMBL20142068 0.87 GSK3A (1.00) GSK3AGSK3BCCNA2CDK2MEN1
SCHEMBL23929869 0.87 MEN1 (0.73) GSK3AGSK3BCCNA2CDK2MEN1
SCHEMBL4472482 0.87 MEN1 (0.81) GSK3AGSK3BCCNA2CDK2MEN1
SCHEMBL20142382 0.85 MEN1 (0.83) GSK3AGSK3BCCNA2CDK2MEN1
SCHEMBL20142196 0.84 GSK3A (0.81) GSK3AGSK3BCCNA2CDK2MEN1
SCHEMBL5725174 0.84 CCNA2 (0.78) CCNA2CDK2MEN1KMT2ANPC1
SCHEMBL20142298 0.83 GSK3A (0.77) GSK3AGSK3BCCNA2CDK2MEN1

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