SCHEMBL8525153

SCHEMBL8525153

Cc1nc2c(F)cc(I)cc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.44
DHODH Q02127 5/20 0.37
FGFR1 P11362 1/20 0.35
FGFR2 P21802 1/20 0.35
FGFR3 P22607 1/20 0.35
CSNK2A1 P68400 1/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
ALDH1A1 P00352 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PARP1 P09874 2/20 0.33
GAA P10253 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL8265513 0.81 HTT (0.47) HTTDHODHFGFR1FGFR2FGFR3
SCHEMBL5994439 0.81 HTT (0.47) HTTDHODHFGFR1FGFR2FGFR3
SCHEMBL1759078 0.78 SMN1; SMN2 (0.47) HTTDHODHFGFR1FGFR2FGFR3
SCHEMBL10003407 0.78 HTT (0.44) HTTDHODHFGFR1FGFR2FGFR3
SCHEMBL25112470 0.77 PARP1 (0.54) MAPTKDM4EHPGDALDH1A1PARP1
SCHEMBL10282307 0.76 EIF4A3 (0.44) HTTDHODHFGFR1FGFR2FGFR3
SCHEMBL24463056 0.76 HTT (0.43) HTTDHODHCSNK2A1MAPTKDM4E
SCHEMBL25105571 0.73 HTT (0.40) HTTDHODHFGFR1FGFR2FGFR3
SCHEMBL12664024 0.69 DHODH (0.40) HTTDHODHFGFR1FGFR2FGFR3
SCHEMBL1902643 0.69 PARP1 (0.53) HTTDHODHKDM4EHPGDALDH1A1

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
WO-2012083170-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2012-06-21 WO disclosed
WO-2012083164-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2012-06-21 WO disclosed
EP-2455376-A1 Heterocyclic compounds as inhibitors of hepatitis C virus (HCV) Abbott Laboratories (US) 2012-05-23 EP disclosed
WO-2010144646-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2010-12-16 WO disclosed