SCHEMBL20142259

SCHEMBL20142259

Cc1ccc(Nc2nc(N)c(C(=O)c3ccc(Br)cc3)s2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 2/20 0.73
GSK3B P49841 2/20 0.73
MEN1 O00255 4/20 0.68
KMT2A Q03164 4/20 0.68
NPC1 O15118 3/20 0.68
CCNA2 P20248 10/20 0.63
CDK2 P24941 10/20 0.63
CDK5 Q00535 4/20 0.63
CDK5R1 Q15078 4/20 0.63
MAPT P10636 3/20 0.63
RAB9A P51151 1/20 0.63
MAPK14 Q16539 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
LMNA P02545 1/20 0.61
TP53 P04637 1/20 0.59
TUBB8B A6NNZ2 1/20 0.57
TUBB4A P04350 1/20 0.57
TUBB P07437 1/20 0.57
TUBB4B P68371 1/20 0.57
TUBB3 Q13509 1/20 0.57

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
SCHEMBL20142446 0.88 MEN1 (0.88) GSK3AGSK3BMEN1KMT2ANPC1
SCHEMBL20142192 0.88 CCNA2 (0.78) GSK3AGSK3BMEN1KMT2ANPC1
SCHEMBL20142845 0.88 NPC1 (0.79) GSK3AGSK3BMEN1KMT2ANPC1
SCHEMBL20142148 0.88 GSK3A (0.73) GSK3AGSK3BMEN1KMT2ANPC1
SCHEMBL4395265 0.88 GSK3A (0.73) GSK3AGSK3BMEN1KMT2ANPC1
SCHEMBL13633763 0.88 CDK5 (0.65) GSK3AGSK3BMEN1KMT2ANPC1
SCHEMBL25609657 0.88 NPC1 (0.79) GSK3AGSK3BMEN1KMT2ANPC1
SCHEMBL20142253 0.88 CCNA2 (0.82) GSK3AGSK3BMEN1KMT2ANPC1
SCHEMBL25609810 0.88 CCNA2 (0.82) GSK3AGSK3BMEN1KMT2ANPC1
SCHEMBL20142474 0.88 CCNA2 (0.82) GSK3AGSK3BMEN1KMT2ANPC1

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