SCHEMBL7985655

SCHEMBL7985655

COc1cccc(Cn2cnc3[nH]c(-c4cccc(N)c4)nc(=O)c32)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.48
RXFP1 Q9HBX9 1/20 0.48
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.46
PKM P14618 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
ROCK2 O75116 8/20 0.45
ROCK1 Q13464 5/20 0.44
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
AURKA O14965 1/20 0.43
PRKCB P05771 1/20 0.43
GRK2 P25098 1/20 0.43
AKT1 P31749 1/20 0.43
GRK5 P34947 1/20 0.43
GRK6 P43250 1/20 0.43

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
SCHEMBL7985852 0.94 TP53 (0.52) TP53RXFP1ROCK2ROCK1AURKA
SCHEMBL7974021 0.91 TP53 (0.51) TP53RXFP1MEN1KMT2AROCK2
SCHEMBL7974316 0.90 TP53 (0.48) TP53RXFP1HPGDROCK2ROCK1
SCHEMBL7984697 0.90 TP53 (0.48) TP53RXFP1ROCK2ROCK1AURKA
SCHEMBL7974096 0.90 TP53 (0.48) TP53RXFP1MEN1HPGDHTT
SCHEMBL7974586 0.89 GAA (0.52) TP53RXFP1GAA
SCHEMBL7985381 0.89 HPGD (0.48) TP53RXFP1MEN1POLBHPGD
SCHEMBL7985580 0.88 HPGD (0.49) TP53RXFP1HPGDROCK2ROCK1
SCHEMBL7991877 0.88 P2RX7 (0.47) TP53RXFP1MEN1HTTKMT2A
SCHEMBL7989314 0.87 ROCK2 (0.55) TP53RXFP1ROCK2ROCK1AURKA

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