SCHEMBL7984697

SCHEMBL7984697

COc1cccc(Cn2cnc3[nH]c(-c4cccc(O)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
MTOR P42345 1/20 0.47
ROCK2 O75116 10/20 0.42
ROCK1 Q13464 6/20 0.42
AURKA O14965 1/20 0.42
PRKCB P05771 1/20 0.42
GRK2 P25098 1/20 0.42
AKT1 P31749 1/20 0.42
GRK5 P34947 1/20 0.42
GRK6 P43250 1/20 0.42
CAMK2B Q13554 1/20 0.42
RPS6KA1 Q15418 1/20 0.42
GRK7 Q8WTQ7 1/20 0.42
GAA P10253 1/20 0.42
YTHDC1 Q96MU7 1/20 0.41
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
FYN P06241 1/20 0.40
P2RX7 Q99572 1/20 0.40

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 0.93 TP53 (0.52) TP53RXFP1MTORROCK2ROCK1
SCHEMBL7974021 0.90 TP53 (0.51) TP53RXFP1MTORROCK2ROCK1
SCHEMBL7985655 0.90 TP53 (0.48) TP53RXFP1MTORROCK2ROCK1
SCHEMBL7974096 0.89 TP53 (0.48) TP53RXFP1ROCK2ROCK1AURKA
SCHEMBL7974316 0.89 TP53 (0.48) TP53RXFP1ROCK2ROCK1AURKA
SCHEMBL7974586 0.88 GAA (0.52) TP53RXFP1GAAMAPTP2RX7
SCHEMBL7985381 0.88 HPGD (0.48) TP53RXFP1ROCK2ROCK1AURKA
SCHEMBL7974249 0.87 ALDH1A1 (0.41) MTORGAALMNAMAPT
SCHEMBL7985342 0.87 CNOT7 (0.51) MTOR
SCHEMBL7991877 0.87 P2RX7 (0.47) TP53RXFP1GAAYTHDC1MAPT

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