SCHEMBL20142835

SCHEMBL20142835

Cc1ccc(Nc2nc(N(C)C)c(C(=O)c3cccc(C#N)c3)s2)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.57
GSK3B P49841 1/20 0.57
ADORA3 P0DMS8 5/20 0.51
CDK5 Q00535 4/20 0.48
CDK5R1 Q15078 4/20 0.48
CCNA2 P20248 6/20 0.47
CDK2 P24941 6/20 0.47
ADORA2A P29274 3/20 0.45
ADORA1 P30542 3/20 0.45
ZAP70 P43403 1/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL20142094 0.91 RAB9A (0.50) GSK3AGSK3BADORA3CDK5CDK5R1
SCHEMBL20142475 0.91 GSK3A (0.48) GSK3AGSK3BADORA3CDK5CDK5R1
SCHEMBL20142305 0.90 DHODH (0.47) GSK3AGSK3BADORA3CDK5CDK5R1
SCHEMBL20142510 0.90 ZAP70 (0.55) GSK3AGSK3BADORA3CDK5CDK5R1
SCHEMBL20142504 0.89 CCNA2 (0.49) GSK3AGSK3BADORA3CDK5CDK5R1
SCHEMBL20142423 0.88 ADORA3 (0.49) GSK3AGSK3BADORA3CDK5CDK5R1
SCHEMBL20142448 0.88 GSK3A (0.73) GSK3AGSK3BADORA3CDK5CDK5R1
SCHEMBL20142440 0.86 GSK3A (0.77) GSK3AGSK3BCDK5CDK5R1CCNA2
SCHEMBL20142841 0.84 MAPT (0.63) GSK3AGSK3BADORA3CDK5CDK5R1
SCHEMBL20142412 0.83 GSK3A (0.56) GSK3AGSK3BADORA3CDK5CDK5R1

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