SCHEMBL7122586

SCHEMBL7122586

CC(C)Nc1nc2c(F)c(Cl)c(Cl)cc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 1/20 0.40
CSNK2B P67870 1/20 0.40
CSNK2A1 P68400 1/20 0.40
COASY Q13057 1/20 0.37
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RHEB Q15382 1/20 0.33
HTT P42858 2/20 0.33
PTGES O14684 2/20 0.32
NR4A2 P43354 1/20 0.32
AR P10275 1/20 0.31
GLP1R P43220 2/20 0.30
MCHR1 Q99705 1/20 0.30
TRPV4 Q9HBA0 1/20 0.30
GAA P10253 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL7114594 0.89 CSNK2A2 (0.41) CSNK2A2CSNK2BCSNK2A1COASYKDM4E
SCHEMBL7209326 0.88 RHEB (0.44) CSNK2A2CSNK2BCSNK2A1COASYKDM4E
SCHEMBL7903051 0.84 CSNK2A2 (0.49) CSNK2A2CSNK2BCSNK2A1COASYKDM4E
SCHEMBL8016006 0.80 CSNK2A2 (0.34) CSNK2A2CSNK2BCSNK2A1COASY
SCHEMBL7120039 0.80 CSNK2A2 (0.42) CSNK2A2CSNK2BCSNK2A1COASYKDM4E
SCHEMBL7208992 0.78 HTT (0.56) CSNK2A2CSNK2BCSNK2A1COASYKDM4E
SCHEMBL7734462 0.76 AR (0.40) CSNK2A2CSNK2BCSNK2A1KDM4EALDH1A1
SCHEMBL439758 0.74 GAA (0.49) KDM4EALDH1A1RHEBHTTAR
SCHEMBL29720357 0.74 GAA (0.49) KDM4EALDH1A1RHEBHTTAR
SCHEMBL7208967 0.72 ADORA1 (0.52) CSNK2A2CSNK2BCSNK2A1COASYKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0970100-B1 BENZIMIDAZOLE DERIVATIVES GLAXO GROUP LTD (GB) 2003-11-12 EP disclosed
US-6413938-B1 HERPES VIRUS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2002-07-02 US disclosed
EP-0970100-A1 BENZIMIDAZOLE DERIVATIVES GLAXO GROUP LIMITED (GB) 2000-01-12 EP disclosed
WO-1998035977-A1 BENZIMIDAZOLE DERIVATIVES GLAXO GROUP LIMITED (GB) 1998-08-20 WO disclosed