SCHEMBL4737183

SCHEMBL4737183

Cc1cc(-c2ccccc2)nc2cc(C(=O)Nc3ccccc3)nn12

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.80
MAPT P10636 5/20 0.75
LMNA P02545 2/20 0.75
KDM4E B2RXH2 10/20 0.72
ALDH1A1 P00352 8/20 0.72
HPGD P15428 7/20 0.72
HSD17B10 Q99714 5/20 0.72
MAPK1 P28482 1/20 0.70
SMN1; SMN2 Q16637 3/20 0.65
GAA P10253 2/20 0.65
MEN1 O00255 1/20 0.65
NR4A1 P22736 1/20 0.65
KMT2A Q03164 1/20 0.65
RAB9A P51151 3/20 0.62
POLB P06746 2/20 0.62
NPC1 O15118 2/20 0.61
THRB P10828 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61

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
SCHEMBL8202423 0.93 TP53 (0.77) TP53MAPTLMNAKDM4EALDH1A1
SCHEMBL1718453 0.91 HPGD (0.80) TP53MAPTLMNAKDM4EALDH1A1
SCHEMBL8191835 0.91 TP53 (0.77) TP53MAPTLMNAKDM4EALDH1A1
SCHEMBL4207359 0.88 TP53 (0.84) TP53MAPTLMNAKDM4EALDH1A1
SCHEMBL4211257 0.88 POLB (0.79) TP53MAPTLMNAKDM4EALDH1A1
SCHEMBL1718691 0.87 TP53 (0.68) TP53MAPTLMNAKDM4EALDH1A1
SCHEMBL8199380 0.86 MAPT (1.00) TP53MAPTLMNAKDM4EALDH1A1
SCHEMBL1718971 0.85 TP53 (0.68) TP53MAPTLMNAKDM4EALDH1A1
SCHEMBL4731862 0.84 KDM4E (0.80) TP53MAPTLMNAKDM4EALDH1A1
SCHEMBL4734233 0.84 MAPT (0.75) TP53MAPTLMNAKDM4EALDH1A1

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-2008056176-A1 PYRAZOLOPYRIMIDINES AS PHOSPHODIESTERASE INHIBITORS SCOTTISH BIOMEDICAL LIMITED (GB) 2008-05-15 WO disclosed