SCHEMBL7988929

SCHEMBL7988929

COc1cccc(Cn2cnc3[nH]c(CN(C)C(=O)OC(C)(C)C)nc(=O)c32)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
GAA P10253 1/20 0.39
CACNA1G O43497 1/20 0.38
CACNA1B Q00975 1/20 0.38
CACNA1C Q13936 1/20 0.38
YTHDC1 Q96MU7 1/20 0.38
MAPT P10636 1/20 0.38
P2RX3 P56373 1/20 0.37
ROCK1 Q13464 6/20 0.37
ROCK2 O75116 6/20 0.37
MTOR P42345 1/20 0.37
AURKA O14965 1/20 0.37
PRKCB P05771 1/20 0.37
GRK2 P25098 1/20 0.37
AKT1 P31749 1/20 0.37
GRK5 P34947 1/20 0.37
GRK6 P43250 1/20 0.37
CAMK2B Q13554 1/20 0.37
RPS6KA1 Q15418 1/20 0.37

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
SCHEMBL7988124 0.89 SMN1; SMN2 (0.41) CACNA1GCACNA1BCACNA1CYTHDC1HTR2C
SCHEMBL7985460 0.89 CNOT7 (0.45) CACNA1GCACNA1BCACNA1CHTR2CSLC6A4
SCHEMBL7988933 0.87 GAA (0.44) TP53RXFP1GAACACNA1GCACNA1B
SCHEMBL7987945 0.84 CACNA1G (0.39) CACNA1GCACNA1BCACNA1CHTR2CSLC6A4
SCHEMBL7974301 0.84 CACNA1G (0.40) CACNA1GCACNA1BCACNA1CHTR2CSLC6A4
SCHEMBL7992288 0.84 ABCC8 (0.41) CACNA1GCACNA1BCACNA1CHTR2CSLC6A4
SCHEMBL7991608 0.82 CNOT7 (0.47) CACNA1GCACNA1BCACNA1CP2RX3HTR2C
SCHEMBL7975225 0.81 CACNA1G (0.40) TP53CACNA1GCACNA1BCACNA1CP2RX3
SCHEMBL7984516 0.81 TP53 (0.53) TP53RXFP1GAAYTHDC1MAPT
SCHEMBL7985316 0.80 CNOT7 (0.48) CACNA1GCACNA1BCACNA1CP2RX3HTR2C

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