SCHEMBL7989013

SCHEMBL7989013

CN(CC(=O)Nc1ncn(Cc2ccccc2F)c1C(N)=O)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.38
PDE4A P27815 5/20 0.37
PDE4B Q07343 5/20 0.37
PDE4C Q08493 5/20 0.37
PDE4D Q08499 5/20 0.37
PDE5A O76074 3/20 0.37
PDE1A P54750 3/20 0.37
PDE1B Q01064 3/20 0.37
PDE1C Q14123 3/20 0.37
PDE3B Q13370 2/20 0.37
PDE3A Q14432 2/20 0.37
AURKA O14965 1/20 0.36
RPS6KB1 P23443 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
BUB1 O43683 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL7992102 0.88 HTR2C (0.41) AURKARPS6KB1KDM4EMEN1ALDH1A1
SCHEMBL7984765 0.86 GRM2 (0.36) KDM4EMEN1ALDH1A1KMT2ABUB1
SCHEMBL7987693 0.83 TDP1 (0.34) TP53KDM4EALDH1A1KMT2ABUB1
SCHEMBL7991771 0.83 KMT2A (0.39) AURKARPS6KB1KDM4EALDH1A1KMT2A
SCHEMBL7988995 0.83 NR1H4 (0.38) BUB1
SCHEMBL7974052 0.81 KDM4E (0.42) TP53KDM4EL3MBTL1RXFP1MAPT
SCHEMBL7987938 0.81 KDM4E (0.44) TP53PDE4APDE4BPDE4CPDE4D
SCHEMBL7992533 0.81 GLS (0.38) AURKARPS6KB1KDM4EALDH1A1KMT2A
SCHEMBL7974433 0.81 TP53 (0.40) TP53AURKARPS6KB1MEN1KMT2A
SCHEMBL7974264 0.79 HTR2C (0.40) AURKARPS6KB1BUB1GAAMCL1

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