SCHEMBL10847294

SCHEMBL10847294

Cc1[nH]c(=O)c(C(F)(F)F)cc1-c1ccncn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.40
PDE3A Q14432 2/20 0.40
AURKB Q96GD4 1/20 0.40
INCENP Q9NQS7 1/20 0.40
CDC7 O00311 1/20 0.38
KDM4E B2RXH2 1/20 0.37
PDE5A O76074 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
PTGS1 P23219 1/20 0.37
PDE4A P27815 1/20 0.37
CYP2C19 P33261 1/20 0.37
BLM P54132 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
CCNT1 O60563 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36

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
SCHEMBL10842976 0.79 PDE3B (0.42) PDE3BPDE3AAURKBINCENPCDC7
SCHEMBL10989508 0.76 GAA (0.49) PDE3BPDE3AAURKBINCENPCDC7
SCHEMBL10984156 0.76 PDE3A (0.67) PDE3BPDE3AAURKBINCENPCDC7
SCHEMBL10842595 0.76 HSD17B1 (0.36) PDE3BPDE3AAURKBINCENPKDM4E
SCHEMBL10980606 0.73 ADORA2B (0.42) PDE3BPDE3AAURKBINCENPCDC7
SCHEMBL10848672 0.72 CCNT1 (0.42) PDE3BPDE3AAURKBINCENPCDC7
SCHEMBL10847958 0.72 GSK3B (0.36) CDC7KDM4EHPGDTSHRCCNT1
SCHEMBL10842958 0.70 KDM5A (0.33) PDE3BPDE3ACDC7P2RX7MAPK14
SCHEMBL28205243 0.68 CYP1A2 (0.53) KDM4ETSHRCYP2C19P2RX7
SCHEMBL24968371 0.67 HPGD (0.46) KDM4ELMNAHPGD

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
US-4593028-A 5-hetero aryl-substituted-2-pyridones useful as cardiotonic agents for treatment of congestive heart failure WILLIAM H. RORER, INC. (US) 1986-06-03 US disclosed
US-4432979-A Pyridone compounds WILLIAM H. RORER, INC. (US) 1984-02-21 US disclosed