SCHEMBL7985867

SCHEMBL7985867

COc1cccc(Cn2cnc3nc(-c4ccccc4F)[nH]c(=O)c32)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.53
TP53 P04637 2/20 0.48
RXFP1 Q9HBX9 1/20 0.48
HPGD P15428 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 2/20 0.43
ROCK2 O75116 5/20 0.42
ROCK1 Q13464 5/20 0.42
KMT2A Q03164 2/20 0.42
AURKA O14965 1/20 0.41
PRKCB P05771 1/20 0.41
GRK2 P25098 1/20 0.41
AKT1 P31749 1/20 0.41
GRK5 P34947 1/20 0.41
GRK6 P43250 1/20 0.41
CAMK2B Q13554 1/20 0.41
RPS6KA1 Q15418 1/20 0.41
GRK7 Q8WTQ7 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL7974306 0.87 HPGD (0.45) GAATP53HPGDSMN1; SMN2ALDH1A1
SCHEMBL7988452 0.87 SMN1; SMN2 (0.46) GAAHPGDSMN1; SMN2ALDH1A1ROCK2
SCHEMBL7974016 0.86 GAA (0.56) GAATP53RXFP1HPGDSMN1; SMN2
SCHEMBL7974644 0.86 SMN1; SMN2 (0.55) GAARXFP1HPGDSMN1; SMN2ALDH1A1
SCHEMBL7988743 0.86 GAA (0.49) GAATP53RXFP1HPGDALDH1A1
SCHEMBL7984876 0.85 SMN1; SMN2 (0.47) GAAHPGDSMN1; SMN2ALDH1A1KMT2A
SCHEMBL7985844 0.85 GAA (0.52) GAATP53RXFP1HPGDALDH1A1
SCHEMBL7985875 0.85 TP53 (0.48) GAATP53RXFP1HPGDROCK2
SCHEMBL7974310 0.85 GAA (0.48) GAATP53RXFP1HPGDSMN1; SMN2
SCHEMBL7985453 0.84 GAA (0.52) GAATP53RXFP1HPGDSMN1; SMN2

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