SCHEMBL11020641

SCHEMBL11020641

Cc1[nH]c(=O)c(C#N)cc1-c1cnc(N)[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3A Q14432 8/20 0.53
PDE3B Q13370 7/20 0.53
KDM4E B2RXH2 6/20 0.53
HPGD P15428 4/20 0.53
PDE4A P27815 3/20 0.53
BLM P54132 2/20 0.53
CYP2C19 P33261 2/20 0.53
LMNA P02545 2/20 0.53
PDE4B Q07343 2/20 0.53
PDE4C Q08493 2/20 0.53
PDE4D Q08499 2/20 0.53
PDE5A O76074 1/20 0.53
TSHR P16473 1/20 0.53
PTGS1 P23219 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
ALDH1A1 P00352 2/20 0.52
GALR3 O60755 1/20 0.52
GAA P10253 1/20 0.52
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL11018343 0.81 KDM4E (0.51) PDE3APDE3BKDM4EHPGDPDE4A
SCHEMBL11018954 0.78 KDM4E (0.67) PDE3APDE3BKDM4EHPGDPDE4A
SCHEMBL11019985 0.77 PDE3A (0.70) PDE3APDE3BKDM4EHPGDPDE4A
SCHEMBL11017816 0.76 PDE3A (0.52) PDE3APDE3BKDM4EHPGDPDE4A
SCHEMBL11018334 0.75 KDM4E (0.53) PDE3APDE3BKDM4EHPGDPDE4A
SCHEMBL11018440 0.74 HPGD (0.56) PDE3APDE3BKDM4EHPGDPDE4A
SCHEMBL11023915 0.74 KDM4E (0.50) PDE3APDE3BKDM4EHPGDPDE4A
SCHEMBL11023999 0.74 KDM4E (0.56) PDE3APDE3BKDM4EHPGDPDE4A
SCHEMBL10824850 0.74 KDM4E (0.78) PDE3APDE3BKDM4EHPGDPDE4A
SCHEMBL10981195 0.74 KDM4E (0.62) PDE3APDE3BKDM4EHPGDPDE4A

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