SCHEMBL11229981

SCHEMBL11229981

CCc1[nH]c(=O)c(N/C(C)=C/C(C)=O)cc1-c1ccnc(C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 1/20 0.38
▸ PDE3A Q14432 1/20 0.38
▸ ABL1 P00519 1/20 0.37
▸ CCNC P24863 2/20 0.36
▸ CDK8 P49336 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ MAPK1 P28482 3/20 0.34
▸ WNT3A P56704 2/20 0.33
▸ GPR142 Q7Z601 1/20 0.33
▸ PSEN1 P49768 2/20 0.32
▸ PSEN2 P49810 2/20 0.32
▸ APH1B Q8WW43 2/20 0.32
▸ NCSTN Q92542 2/20 0.32
▸ APH1A Q96BI3 2/20 0.32
▸ PSENEN Q9NZ42 2/20 0.32
▸ CDK5 Q00535 1/20 0.32

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
SCHEMBL11229983 1.00 PDE3B (0.38) PDE3BPDE3AABL1CCNCCDK8
SCHEMBL11224253 0.87 PDE3B (0.51) PDE3BPDE3ACCNCCDK8KDM4E
SCHEMBL11224250 0.87 PDE3B (0.51) PDE3BPDE3ACCNCCDK8KDM4E
SCHEMBL11224968 0.83 PDE3B (0.40) PDE3BPDE3AABL1CCNCCDK8
SCHEMBL11224972 0.83 PDE3B (0.40) PDE3BPDE3AABL1CCNCCDK8
SCHEMBL11227737 0.82 PDE3B (0.38) PDE3BPDE3AABL1KDM4EGAA
SCHEMBL11227734 0.82 PDE3B (0.38) PDE3BPDE3AABL1KDM4EGAA
SCHEMBL11240170 0.80 GPR142 (0.36) PDE3BPDE3AABL1CCNCCDK8
SCHEMBL11231359 0.79 PDE3B (0.53) PDE3BPDE3AKDM4EGAAMAPT
SCHEMBL11231364 0.79 PDE3B (0.53) PDE3BPDE3AKDM4EGAAMAPT

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-4362735-A 3-[(3-Oxo-1-butenyl)amino]-5-(pyridinyl)-2(1H)-pyridinones and their cardiotonic use STERLING DRUG INC. (US) 1982-12-07 — — US disclosed
Send feedback