SCHEMBL2828358

SCHEMBL2828358

CCn1nc(C(=O)O)c(CCN(C)C)c(Nc2cncc3ccccc23)c1=O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
ALDH1A1 P00352 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ROCK1 Q13464 1/20 0.36
PDE4B Q07343 5/20 0.36
ADORA1 P30542 2/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
KMT2A Q03164 1/20 0.35
PKM P14618 1/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL2828338 0.89 SMN1; SMN2 (0.41) MAPTALDH1A1L3MBTL1KDM4EPDE4B
SCHEMBL2825496 0.87 MAPT (0.38) MAPTALDH1A1L3MBTL1KDM4EPDE4B
SCHEMBL2831318 0.86 PKM (0.44) MAPTALDH1A1L3MBTL1KDM4ESMN1; SMN2
SCHEMBL2828825 0.86 KMT2A (0.40) MAPTALDH1A1L3MBTL1KDM4EPDE4B
SCHEMBL2825646 0.86 ALDH1A1 (0.40) MAPTALDH1A1L3MBTL1KDM4EPDE4B
SCHEMBL2829802 0.84 KMT2A (0.41) MAPTALDH1A1L3MBTL1KDM4EPDE4B
SCHEMBL2828381 0.82 KMT2A (0.37) MAPTALDH1A1L3MBTL1KDM4EPDE4B
SCHEMBL2828005 0.82 PDE4B (0.41) MAPTALDH1A1L3MBTL1KDM4EPDE4B
SCHEMBL2828384 0.82 SMN1; SMN2 (0.38) MAPTALDH1A1L3MBTL1KDM4EPDE4B
SCHEMBL1996275 0.82 PDE4B (0.48) MAPTALDH1A1L3MBTL1KDM4EPDE4B

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-1758869-B1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS ALMIRALL SA (ES) 2010-12-22 EP claimed