SCHEMBL7985461

SCHEMBL7985461

COc1cccc(Cn2cnc3[nH]c(-c4ccccn4)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
GAA P10253 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
RUNX1 Q01196 1/20 0.44
ROCK2 O75116 8/20 0.43
ROCK1 Q13464 5/20 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
CAMK2B Q13554 1/20 0.43
RPS6KA1 Q15418 1/20 0.43
GRK7 Q8WTQ7 1/20 0.43
YTHDC1 Q96MU7 1/20 0.42
MAPT P10636 2/20 0.42
MTOR P42345 1/20 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
SCHEMBL7991792 0.87 ALDH1A1 (0.44) NPC1RAB9ALMNANPY5R
SCHEMBL7974021 0.87 TP53 (0.51) TP53RXFP1GAAROCK2ROCK1
SCHEMBL7985852 0.86 TP53 (0.52) TP53RXFP1GAAROCK2ROCK1
SCHEMBL7985494 0.86 CNOT7 (0.52) RXFP1GAANPC1RAB9ALMNA
SCHEMBL7989314 0.85 ROCK2 (0.55) TP53RXFP1GAAROCK2ROCK1
SCHEMBL7974009 0.85 METAP2 (0.41) NPC1RAB9AROCK2ROCK1NPY5R
SCHEMBL7992180 0.85 SMN1; SMN2 (0.45) NPC1RAB9AYTHDC1P2RX7
SCHEMBL7985453 0.85 GAA (0.52) TP53RXFP1GAANPC1RAB9A
SCHEMBL7985875 0.84 TP53 (0.48) TP53RXFP1GAAROCK2ROCK1
SCHEMBL7974586 0.83 GAA (0.52) TP53RXFP1GAAMAPTP2RX7

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