SCHEMBL7987555

SCHEMBL7987555

CCCC(=O)Nc1ncn(Cc2ccccc2)c1C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
PKM P14618 1/20 0.47
TSHR P16473 1/20 0.47
GSK3B P49841 5/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 2/20 0.42
CDC7 O00311 2/20 0.41
AURKA O14965 2/20 0.41
MAPK13 O15264 2/20 0.41
DAPK3 O43293 2/20 0.41
DYRK3 O43781 2/20 0.41
ROCK2 O75116 2/20 0.41
PRKD3 O94806 2/20 0.41
PRKCG P05129 2/20 0.41
CDK1 P06493 2/20 0.41
PRKACA P17612 2/20 0.41
RPS6KB1 P23443 2/20 0.41

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
SCHEMBL7991550 0.93 GAA (0.45) GAAPKMTSHRALDH1A1POLB
SCHEMBL7987935 0.92 XDH (0.47) GAAPKMTSHRALDH1A1MEN1
SCHEMBL7991565 0.90 TSHR (0.49) GAAPKMTSHRALDH1A1KMT2A
SCHEMBL8061779 0.89 GSK3B (0.40) GSK3BCDK8HPGDGSK3AJAK3
SCHEMBL7988379 0.89 KDM4E (0.50) GSK3BMAPTMAPK1MMP13HDAC1
SCHEMBL7987680 0.88 HPGD (0.42) GSK3BALDH1A1MEN1KMT2AMAPT
SCHEMBL7988471 0.88 KDM4E (0.43) GAAGSK3BPOLBCYP1A2CYP3A4
SCHEMBL7984382 0.87 NPC1 (0.41) PKMGSK3BALDH1A1MAPTAURKA
SCHEMBL7986341 0.86 GSK3B (0.43) GSK3BHDAC1HDAC2
SCHEMBL7984368 0.86 GSK3B (0.44) GAATSHRGSK3BALDH1A1MEN1

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-6310070-B1 FOR TREATING NEPHRITIS, IMPROVING PROTEINURIA DUE TO GLOMERULONEPHRITIS AND PREVENTING AGGRAVATION OF NEPHRITIS JAPAN ENERGY CORPORATION (JP) 2001-10-30 US disclosed
EP-0999211-A1 NOVEL PURINE DERIVATIVES AND MEDICINAL USE THEREOF JAPAN ENERGY CORPORATION (JP) 2000-05-10 EP disclosed