SCHEMBL29759554

SCHEMBL29759554

Cn1cc(-c2cn3nccc3s2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.43
FLT3 P36888 6/20 0.43
JAK2 O60674 3/20 0.41
JAK1 P23458 3/20 0.41
TYK2 P29597 3/20 0.41
JAK3 P52333 3/20 0.41
BRD4 O60885 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PI4KA P42356 1/20 0.38
PIK3CG P48736 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
KIT P10721 1/20 0.37
EPHX2 P34913 1/20 0.37
NEK2 P51955 1/20 0.37
AXL P30530 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA1A P35348 1/20 0.36

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
SCHEMBL2530102 0.76 PRKCI (0.38) DYRK1AHDAC6FYN
SCHEMBL24577874 0.71 FLT3 (0.38) DYRK1AFLT3JAK2JAK1TYK2
SCHEMBL9827034 0.69 FYN (0.57) DYRK1AFLT3BRD4KITEPHX2
SCHEMBL15729473 0.68 CYP2A6 (0.51) FLT3PIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL24853024 0.67
SCHEMBL20004395 0.67 PIK3CG (0.44) DYRK1AFLT3BRD4PIK3CDPIK3CA
SCHEMBL22792789 0.67 RET (0.45) DYRK1AFLT3PIK3CGNEK2ADRA2A
SCHEMBL2035062 0.67 CHEK1 (0.50) DYRK1ABRD4EPHX2AXLFYN
SCHEMBL24577338 0.66 HDAC6 (0.39) FLT3BRD4HDAC6PIK3CGKIT
SCHEMBL24576968 0.66 BRD4 (0.41) FLT3BRD4HDAC6PIK3CGNEK2

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
EP-4267585-A1 PYRAZOLOTHIAZOLE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS Actelion Pharmaceuticals Ltd (CH) 2023-11-01 EP disclosed
WO-2022136509-A1 PYRAZOLOTHIAZOLE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2022-06-30 WO disclosed