SCHEMBL11053386

SCHEMBL11053386

CC(=O)Nc1nc(C)c(-c2cc(C#N)c(=O)[nH]c2C)s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 14/20 0.55
PIK3CA P42336 12/20 0.55
PIK3CB P42338 11/20 0.55
PIK3CD O00329 10/20 0.55
KDM4E B2RXH2 3/20 0.48
RXFP1 Q9HBX9 1/20 0.48
HPGD P15428 2/20 0.45
PDE5A O76074 1/20 0.45
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
PTGS1 P23219 1/20 0.45
PDE4A P27815 1/20 0.45
CYP2C19 P33261 1/20 0.45
BLM P54132 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
PDE3B Q13370 1/20 0.45
PDE3A Q14432 1/20 0.45
GALR3 O60755 1/20 0.44

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
SCHEMBL11021037 0.83 KDM4E (0.49) PIK3CGPIK3CAPIK3CBPIK3CDKDM4E
SCHEMBL11019345 0.78 KDM4E (0.57) KDM4ERXFP1HPGDPDE5ALMNA
SCHEMBL11028624 0.77 MEN1 (0.51) KDM4ERXFP1HPGDPDE5ALMNA
SCHEMBL11052554 0.76 KDM4E (0.45) PIK3CGPIK3CAPIK3CBPIK3CDKDM4E
SCHEMBL7412296 0.72 HPGD (0.63) KDM4ERXFP1HPGDPDE5ALMNA
SCHEMBL48745 0.71 PIK3CG (1.00) PIK3CGPIK3CAPIK3CBPIK3CDPIK3R1
SCHEMBL4159917 0.70 DYRK1A (0.47) PIK3CGPIK3CAPIK3CBPIK3CDMEN1
SCHEMBL10854963 0.69 KDM4E (0.52) KDM4ERXFP1HPGDPDE5ALMNA
SCHEMBL1233950 0.69 PIK3CG (0.53) PIK3CGPIK3CAPIK3CBPIK3CDMEN1
SCHEMBL48538 0.68 PIK3CG (0.61) PIK3CGPIK3CAPIK3CBPIK3CD

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-0154190-A1 Pyridones MERCK PATENT GmbH (DE) 1985-09-11 EP claimed
EP-0154190-A1 Pyridones MERCK PATENT GmbH (DE) 1985-09-11 EP disclosed