SCHEMBL5493427

SCHEMBL5493427

Cc1cc2ncccc2nc1-c1nc2cc(-c3nnn[nH]3)ccc2n1C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRKACA P17612 8/20 0.37
GSK3B P49841 7/20 0.37
RPS6KB1 P23443 6/20 0.37
ROCK1 Q13464 6/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
GFER P55789 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP11B2 P19099 5/20 0.35
CYP11B1 P15538 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
HTR2B P41595 1/20 0.34
HTR6 P50406 1/20 0.34
RPS6KA5 O75582 1/20 0.34
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33

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
SCHEMBL5797566 0.85 PRKACA (0.41) PRKACAGSK3BRPS6KB1ROCK1KDM4E
SCHEMBL4137491 0.81 CYP11B2 (0.41) PRKACAGSK3BRPS6KB1KDM4EALDH1A1
SCHEMBL5493421 0.80 PIK3CD (0.35) KDM4EALDH1A1MAPTGFERTDP1
SCHEMBL4134597 0.78 HDAC1 (0.37) CYP11B2CYP11B1HTR2BHTR6OPRM1
SCHEMBL6401070 0.78 KDM4E (0.38) PRKACAGSK3BRPS6KB1ROCK1KDM4E
SCHEMBL4130964 0.77 CYP11B2 (0.38) PRKACAGSK3BRPS6KB1KDM4EALDH1A1
SCHEMBL13905028 0.76 CYP11B2 (0.42) PRKACAGSK3BRPS6KB1ROCK1KDM4E
SCHEMBL6400154 0.76 CYP11B2 (0.40) PRKACAGSK3BRPS6KB1KDM4EALDH1A1
SCHEMBL4118354 0.76 CYP11B2 (0.42) PRKACAGSK3BRPS6KB1KDM4EALDH1A1
SCHEMBL4125421 0.76 CYP11B2 (0.39) PRKACAGSK3BRPS6KB1ROCK1KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007501189-A 2007-01-25 JP claimed
EP-1651631-A1 BICYCLIC IMIDAZOL DERIVATIVES AGAINST FLAVIVIRIDAE GENELABS TECHNOLOGIES, INC. (US) 2006-05-03 EP claimed
WO-2005012288-A1 BICYCLIC IMIDAZOL DERIVATIVES AGAINST FLAVIVIRIDAE GENELABS TECHNOLOGIES, INC (US) 2005-02-10 WO claimed