SCHEMBL578318

SCHEMBL578318

CCc1n[nH]cc1-c1cc(O)nc(-c2nc(C(F)(F)F)cs2)n1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 4/20 0.36
PTGES O14684 2/20 0.35
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
FLT3 P36888 1/20 0.30
TYRO3 Q06418 1/20 0.30
MERTK Q12866 1/20 0.30
GAS6 Q14393 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
SCHEMBL578140 0.87 LMNA (0.35) IDH1PTGESLMNAPOLB
SCHEMBL578259 0.86 IDH1 (0.35) IDH1PTGESLMNAPOLB
SCHEMBL577812 0.79 MAPT (0.35) IDH1PTGES
SCHEMBL11905052 0.78 IDH1 (0.42) IDH1PTGESLMNAPOLB
SCHEMBL578086 0.75 IDH1 (0.36) IDH1PTGESLMNAPOLB
SCHEMBL577784 0.75 IDH1 (0.36) IDH1PTGESLMNAPOLB
SCHEMBL578111 0.75 IDH1 (0.46) IDH1LMNAPOLB
SCHEMBL577653 0.74 KDM4E (0.37) IDH1PTGESLMNAPOLB
SCHEMBL15215586 0.74 KDM4E (0.34) IDH1PTGESLMNAPOLBFLT3
SCHEMBL577994 0.74 PTGES (0.35) IDH1PTGESLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012109398-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE FOR TREATING HCV INFECTIONS IDENIX PHARMACEUTICALS, INC. (US) 2012-08-16 WO disclosed
EP-2461811-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX Pharmaceuticals, Inc. (US) 2012-06-13 EP disclosed
EP-2417134-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX Pharmaceuticals, Inc. (US) 2012-02-15 EP disclosed
WO-2011017389-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX PHARMACEUTICALS, INC. (US) 2011-02-10 WO disclosed
WO-2010118078-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 WO disclosed