SCHEMBL10986964

SCHEMBL10986964

CCc1[nH]c(=O)c(C#N)cc1-c1ccnnc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3A Q14432 5/20 0.74
PDE3B Q13370 4/20 0.74
KDM4E B2RXH2 6/20 0.50
HPGD P15428 5/20 0.50
PDE4A P27815 2/20 0.50
BLM P54132 2/20 0.50
PDE5A O76074 1/20 0.50
LMNA P02545 1/20 0.50
TSHR P16473 1/20 0.50
PTGS1 P23219 1/20 0.50
CYP2C19 P33261 1/20 0.50
PDE4B Q07343 1/20 0.50
PDE4C Q08493 1/20 0.50
PDE4D Q08499 1/20 0.50
ALDH1A1 P00352 4/20 0.43
GAA P10253 3/20 0.43
GALR3 O60755 1/20 0.43
KMT2A Q03164 2/20 0.39
PDE2A O00408 1/20 0.39
PDE1A P54750 1/20 0.39

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
SCHEMBL10998629 0.85 PDE3A (1.00) PDE3APDE3BKDM4EHPGDPDE4A
SCHEMBL10707484 0.84 PDE3B (0.73) PDE3APDE3BKDM4EHPGDPDE4A
SCHEMBL11223772 0.81 PDE3A (0.73) PDE3APDE3BKDM4EHPGDPDE4A
SCHEMBL10888479 0.80 PDE3A (0.71) PDE3APDE3BKDM4EHPGDPDE4A
SCHEMBL10844600 0.80 PDE3B (0.47) PDE3APDE3BMAPK1CDK5CDK5R1
SCHEMBL10982380 0.78 PDE3B (0.45) PDE3APDE3BKDM4EHPGDALDH1A1
SCHEMBL10845640 0.77 PDE3B (0.44) PDE3APDE3BPDE2ACDK5CDK5R1
SCHEMBL11020104 0.76 PDE3A (0.72) PDE3APDE3BKDM4EHPGDPDE4A
SCHEMBL10987296 0.76 PDE3A (0.62) PDE3APDE3BKDM4EHPGDPDE4A
SCHEMBL6469376 0.76 PDE3A (0.78) 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
US-4539321-A 5-Diaza-aryl-3-substituted pyridone compounds WILLIAM H. RORER, INC. (US) 1985-09-03 US disclosed