SCHEMBL17020156

SCHEMBL17020156

Cc1ncn(CC#N)c1N=O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 3/20 0.41
CSNK2A1 P68400 1/20 0.39
ALDH1A1 P00352 4/20 0.37
PDE4A P27815 1/20 0.37
ADORA2A P29274 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
MEN1 O00255 3/20 0.36
POLB P06746 3/20 0.36
KMT2A Q03164 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 2/20 0.35
CYP17A1 P05093 1/20 0.35
PKM P14618 1/20 0.33
FDPS P14324 1/20 0.31

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
SCHEMBL17008902 0.73 CSNK2A1 (0.42) ADORA2BCSNK2A1ALDH1A1PDE4AADORA2A
SCHEMBL17020111 0.71 CYP11B2 (0.41)
SCHEMBL17008879 0.70 LMNA (0.42) ADORA2BCSNK2A1ALDH1A1PDE4AADORA2A
SCHEMBL10108323 0.64 CSNK2A1 (0.43) ADORA2BCSNK2A1ALDH1A1PDE4AADORA2A
SCHEMBL23262015 0.64 ADORA2B (0.40) ADORA2BCSNK2A1ALDH1A1PDE4AADORA2A
SCHEMBL17020112 0.64 LMNA (0.36) KDM4E
SCHEMBL17020130 0.63 SMN1; SMN2 (0.38) ADORA2BALDH1A1ADORA2AMEN1KMT2A
SCHEMBL19848361 0.62 POLB (0.58) ALDH1A1MEN1POLBKMT2AL3MBTL1
SCHEMBL7333393 0.61 CSNK2A1 (0.44) ADORA2BCSNK2A1ALDH1A1PDE4AADORA2A
SCHEMBL1956056 0.61

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
WO-2015120768-A1 GPR142 AGONIST COMPOUNDS ELI LILLY AND COMPANY (US) 2015-08-20 WO disclosed