SCHEMBL7974168

SCHEMBL7974168

NC(=O)c1c(N)ncn1Cc1cccc(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 3/20 0.45
ROCK2 O75116 1/20 0.44
ROCK1 Q13464 1/20 0.44
MAOB P27338 1/20 0.44
PARP10 Q53GL7 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPK14 Q16539 1/20 0.44
KDM4C Q9H3R0 1/20 0.42
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
TSHR P16473 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
NR3C2 P08235 1/20 0.41
SLC2A1 P11166 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL7974026 0.84 KDM4E (0.58) L3MBTL1GAAPKMTSHRCYP11B1
SCHEMBL7975372 0.84 ALDH1A1 (0.51) GAAPKMTSHRCYP11B1CYP11B2
SCHEMBL7974034 0.84 ATM (0.48) ROCK2ROCK1MAOBKDM4CMKNK1
SCHEMBL7987690 0.83 PKM (0.43) MAOBPARP10MAPK14GAAPKM
SCHEMBL5483136 0.83 PKM (0.59) GAAPKMTSHRCYP11B1CYP11B2
Hydrochloric Acid SCHEMBL7987445 0.82 PKM (0.57) GAAPKMTSHRCYP11B1CYP11B2
SCHEMBL7984239 0.81 ADRA1D (0.52) ROCK2ROCK1NR3C2SLC2A1MAPT
SCHEMBL7988093 0.81 FYN (0.43) L3MBTL1GAAPKMTSHR
SCHEMBL31333022 0.79 ROCK2 (0.44) ROCK2ROCK1MAOBPARP10MAPK14
SCHEMBL7987490 0.79 ADORA2A (0.44) GAAPKMTSHRALDH1A1SMN1; 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