SCHEMBL11020104

SCHEMBL11020104

CCc1[nH]c(=O)c(C#N)cc1-c1cnc(-c2ccncc2)[nH]1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3A Q14432 5/20 0.72
PDE3B Q13370 4/20 0.72
HPGD P15428 4/20 0.53
KDM4E B2RXH2 2/20 0.53
PDE4A P27815 2/20 0.53
BLM P54132 2/20 0.53
PDE5A O76074 1/20 0.53
LMNA P02545 1/20 0.53
TSHR P16473 1/20 0.53
PTGS1 P23219 1/20 0.53
CYP2C19 P33261 1/20 0.53
PDE4B Q07343 1/20 0.53
PDE4C Q08493 1/20 0.53
PDE4D Q08499 1/20 0.53
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
NPY5R Q15761 3/20 0.41
GALR3 O60755 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL11019985 0.85 PDE3A (0.70) PDE3APDE3BHPGDKDM4EPDE4A
SCHEMBL10998629 0.84 PDE3A (1.00) PDE3APDE3BHPGDKDM4EPDE4A
SCHEMBL10989435 0.76 PDE3A (0.63) PDE3APDE3BHPGDKDM4EPDE4A
SCHEMBL10986964 0.76 PDE3A (0.74) PDE3APDE3BHPGDKDM4EPDE4A
SCHEMBL10707484 0.75 PDE3B (0.73) PDE3APDE3BHPGDKDM4EPDE4A
SCHEMBL11223772 0.75 PDE3A (0.73) PDE3APDE3BHPGDKDM4EPDE4A
SCHEMBL10910752 0.75 PDE3A (1.00) PDE3APDE3BHPGDKDM4EPDE4A
SCHEMBL11018954 0.74 KDM4E (0.67) PDE3APDE3BHPGDKDM4EPDE4A
SCHEMBL11018440 0.73 HPGD (0.56) PDE3APDE3BHPGDKDM4EPDE4A
SCHEMBL6469376 0.73 PDE3A (0.78) PDE3APDE3BHPGDKDM4EPDE4A

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