SCHEMBL7985875

SCHEMBL7985875

COc1cccc(Cn2cnc3[nH]c(-c4ccccc4F)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 2/20 0.46
ROCK2 O75116 5/20 0.42
GRIN1 Q05586 2/20 0.42
GRIN2B Q13224 2/20 0.42
YTHDC1 Q96MU7 1/20 0.41
ROCK1 Q13464 5/20 0.41
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
HPGD P15428 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
SCHEMBL7974312 0.87 HPGD (0.45) GRIN1GRIN2BHPGDLMNAP2RX7
SCHEMBL7988457 0.87 PARN (0.42) ROCK2GRIN1GRIN2BROCK1HPGD
SCHEMBL7974021 0.86 TP53 (0.51) TP53RXFP1GAAROCK2YTHDC1
SCHEMBL7974647 0.86 CNOT7 (0.51) RXFP1KDM4EHPGDP2RX7
SCHEMBL7988752 0.86 TP53 (0.48) TP53RXFP1GAAROCK2GRIN1
SCHEMBL7984880 0.85 P2RX7 (0.46) GRIN1GRIN2BYTHDC1HPGDP2RX7
SCHEMBL7985852 0.85 TP53 (0.52) TP53RXFP1GAAROCK2YTHDC1
SCHEMBL7974316 0.85 TP53 (0.48) TP53RXFP1GAAROCK2GRIN1
SCHEMBL7985867 0.85 GAA (0.53) TP53RXFP1GAAROCK2GRIN1
SCHEMBL7985461 0.84 TP53 (0.48) TP53RXFP1GAAROCK2YTHDC1

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