SCHEMBL9534036

SCHEMBL9534036

Cn1ncc2c1CSc1cn[nH]c1-2

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.35
AURKA O14965 1/20 0.35
CHEK2 O96017 1/20 0.35
CDK1 P06493 1/20 0.35
PIM1 P11309 1/20 0.35
FGFR1 P11362 1/20 0.35
CDK2 P24941 1/20 0.35
MARK3 P27448 1/20 0.35
MARK2 Q7KZI7 1/20 0.35
MAPT P10636 1/20 0.35
PLK1 P53350 1/20 0.35
PLK3 Q9H4B4 1/20 0.35

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
SCHEMBL9538656 0.73 PLK1 (0.39) CSNK2A1PLK1PLK3
SCHEMBL9533151 0.73 AURKA (0.31) CSNK2A1AURKACHEK2CDK1PIM1
SCHEMBL9210952 0.71 LTK (0.45) CSNK2A1AURKACHEK2PIM1CDK2
SCHEMBL9218064 0.68 PLK1 (0.34) CSNK2A1PLK1PLK3
SCHEMBL9538373 0.64 PLK1 (0.46) CSNK2A1CDK2PLK1PLK3
SCHEMBL9534430 0.61 PLK1 (0.56) CSNK2A1PLK1PLK3
SCHEMBL9535703 0.61 PLK1 (0.61) CSNK2A1PLK1PLK3
SCHEMBL9533873 0.60 PLK1 (0.54) CSNK2A1CDK2PLK1PLK3
Hydrochloric Acid SCHEMBL9534437 0.59 PLK1 (0.59) CSNK2A1PLK1PLK3
Hydrochloric Acid SCHEMBL9221777 0.57 PLK1 (0.49) CSNK2A1PLK1PLK3

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0276835-B1 PYRAZOLOTHIOPYRANOPYRAZOLES MERRELL DOW PHARMACEUTICALS INC. (US) 1993-03-17 EP claimed
US-4734431-A Thiopyranodipyrazoles and their use as bronchodilators MERRELL DOW PHARMACEUTICALS INC. (US) 1988-03-29 US claimed
EP-0382629-B1 Aminoalkoxyphenyl derivatives, process for their preparation and compositions containing them SANOFI ELF (FR) 1993-11-24 EP disclosed
EP-0276835-B1 PYRAZOLOTHIOPYRANOPYRAZOLES MERRELL DOW PHARMACEUTICALS INC. (US) 1993-03-17 EP disclosed
EP-0382629-A1 Aminoalkoxyphenyl derivatives, process for their preparation and compositions containing them ELF SANOFI (FR) 1990-08-16 EP disclosed
EP-0276835-A1 Pyrazolothiopyranopyrazoles MERRELL DOW PHARMACEUTICALS INC. (US) 1988-08-03 EP disclosed
US-4734431-A Thiopyranodipyrazoles and their use as bronchodilators MERRELL DOW PHARMACEUTICALS INC. (US) 1988-03-29 US disclosed