SCHEMBL2829432

SCHEMBL2829432

COC(=O)c1cnc2ccc(-c3ccc(C(F)(F)F)cc3)cn12

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHB3 P54753 2/20 0.49
CLK1 P49759 7/20 0.48
SCN5A Q14524 3/20 0.47
DYRK3 O43781 1/20 0.45
CCNA2 P20248 1/20 0.45
CDK2 P24941 1/20 0.45
DYRK1A Q13627 1/20 0.45
DYRK2 Q92630 1/20 0.45
DYRK1B Q9Y463 1/20 0.45
TGFBR1 P36897 3/20 0.43
PIK3CA P42336 2/20 0.43
MTOR P42345 1/20 0.43
MCHR1 Q99705 2/20 0.42
PIK3CD O00329 1/20 0.41
PIK3R1 P27986 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41

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
SCHEMBL312359 0.87 TGFBR1 (0.54) EPHB3CLK1SCN5ATGFBR1PIK3CA
SCHEMBL311920 0.84 SCN5A (0.50) EPHB3CLK1SCN5ADYRK3CCNA2
SCHEMBL15168293 0.75 SMN1; SMN2 (0.44) DYRK3CCNA2CDK2DYRK1ADYRK2
SCHEMBL12847621 0.74 EIF2AK4 (0.47) TGFBR1PIK3CA
SCHEMBL15639434 0.74 PIK3CA (0.45) EPHB3CLK1TGFBR1PIK3CAMTOR
SCHEMBL21033573 0.74 LMNA (0.43)
SCHEMBL15718279 0.73 MKNK1 (0.53) DYRK3CCNA2CDK2DYRK1ADYRK2
SCHEMBL1347462 0.73 SCN5A (0.55) SCN5ADYRK3CCNA2CDK2DYRK1A
SCHEMBL14740273 0.73 TGFBR1 (0.44) TGFBR1
SCHEMBL15638031 0.72 TGFBR1 (0.57) TGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1934214-B1 OXADIAZOLYL PYRAZOLO-PYRIMIDINES AS MGLUR2 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-04-07 EP disclosed