SCHEMBL20142382

SCHEMBL20142382

COc1ccc(Nc2nc(N)c(C(=O)c3ccc(C#N)cc3)s2)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.83
KMT2A Q03164 5/20 0.83
NPC1 O15118 4/20 0.83
GSK3A P49840 2/20 0.80
GSK3B P49841 2/20 0.80
CDK5 Q00535 7/20 0.74
CDK5R1 Q15078 7/20 0.74
MAPT P10636 2/20 0.74
LMNA P02545 1/20 0.74
CCNA2 P20248 7/20 0.70
CDK2 P24941 7/20 0.70
TUBB8B A6NNZ2 1/20 0.70
TUBB4A P04350 1/20 0.70
TUBB P07437 1/20 0.70
TUBB4B P68371 1/20 0.70
TUBB3 Q13509 1/20 0.70
TUBB2A Q13885 1/20 0.70
TUBB8 Q3ZCM7 1/20 0.70
TUBB6 Q9BUF5 1/20 0.70
TUBB2B Q9BVA1 1/20 0.70

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 0.92 GSK3A (0.89) MEN1KMT2ANPC1GSK3AGSK3B
SCHEMBL20142470 0.91 GSK3A (0.80) MEN1KMT2ANPC1GSK3AGSK3B
SCHEMBL4397229 0.91 MEN1 (1.00) MEN1KMT2ANPC1GSK3AGSK3B
SCHEMBL20142068 0.89 GSK3A (1.00) MEN1KMT2ANPC1GSK3AGSK3B
SCHEMBL20142196 0.88 GSK3A (0.81) MEN1KMT2ANPC1GSK3AGSK3B
SCHEMBL4470938 0.88 CDK5 (0.72) MEN1KMT2ANPC1GSK3AGSK3B
SCHEMBL20142286 0.88 ZAP70 (0.72) MEN1KMT2ANPC1GSK3AGSK3B
SCHEMBL20142129 0.88 GSK3A (0.71) MEN1KMT2ANPC1GSK3AGSK3B
SCHEMBL20142290 0.87 GSK3A (0.80) MEN1KMT2ANPC1GSK3AGSK3B
SCHEMBL20141891 0.87 GSK3A (0.80) MEN1KMT2ANPC1GSK3AGSK3B

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