SCHEMBL7040649

SCHEMBL7040649

CC(C)n1nc(-c2c(C=Cc3ccccc3N3CCOCC3)nn3ccccc23)ccc1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
USP2 O75604 1/20 0.36
PDE4B Q07343 5/20 0.35
PDE5A O76074 5/20 0.35
PDE3A Q14432 3/20 0.35
L3MBTL1 Q9Y468 3/20 0.34
NSD2 O96028 1/20 0.34
LMNA P02545 1/20 0.34
NPC1 O15118 2/20 0.33
MAPT P10636 2/20 0.33
RAB9A P51151 2/20 0.33
MEN1 O00255 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
HSD17B10 Q99714 2/20 0.31
ALOX15 P16050 1/20 0.31
BRD4 O60885 2/20 0.31
HRH3 Q9Y5N1 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL7040645 1.00 KMT2A (0.36) KMT2AUSP2PDE4BPDE5APDE3A
SCHEMBL7040647 0.87 MAPT (0.38) KMT2AUSP2PDE4BPDE5APDE3A
SCHEMBL7109021 0.80 PDE5A (0.36) KMT2APDE4BPDE5APDE3AL3MBTL1
SCHEMBL7194688 0.79 PDE5A (0.41) PDE4BPDE5APDE3AL3MBTL1LMNA
SCHEMBL7194693 0.79 PDE5A (0.41) PDE4BPDE5APDE3AL3MBTL1LMNA
SCHEMBL7151884 0.79 PDE4B (0.39) PDE4BPDE5APDE3A
SCHEMBL7034421 0.78 PDE4B (0.40) KMT2APDE4BPDE5APDE3AMEN1
SCHEMBL7040393 0.77 PDE5A (0.44) KMT2APDE4BPDE5APDE3AMEN1
SCHEMBL7038848 0.76 PDE5A (0.43) KMT2APDE4BPDE5APDE3AMEN1
SCHEMBL7109556 0.75 MEN1 (0.43) KMT2AUSP2PDE4BPDE5APDE3A

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
WO-2003004494-A1 PYRIDAZINONE COMPOUND AS ADENOSINE ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-01-16 WO disclosed