SCHEMBL3265196

SCHEMBL3265196

CC(C)(C)Nc1cc(-c2ccccc2)nc(Nc2ccc([C]3CCC3)cc2)n1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDH2 P48735 1/20 0.45
SYK P43405 1/20 0.44
PLK1 P53350 4/20 0.43
TP53 P04637 4/20 0.41
MAPT P10636 4/20 0.41
LMNA P02545 3/20 0.41
POLB P06746 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
PTGS2 P35354 1/20 0.40
THRB P10828 1/20 0.38
AGPAT2 O15120 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ADORA1 P30542 1/20 0.37
VCP P55072 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
AGTR1 P30556 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL3264147 0.82 NPY5R (0.45) IDH2SYKPLK1TP53MAPT
SCHEMBL3229954 0.81 IDH2 (0.43) IDH2SYKPLK1TP53MAPT
SCHEMBL3235448 0.78 SYK (0.42) IDH2SYKPLK1TP53MAPT
SCHEMBL3264006 0.78 SYK (0.42) IDH2SYKPLK1TP53MAPT
SCHEMBL3234022 0.78 SYK (0.42) IDH2SYKPLK1TP53MAPT
SCHEMBL3265292 0.77 SYK (0.43) IDH2SYKPLK1TP53MAPT
SCHEMBL3263101 0.77 SYK (0.41) IDH2SYKPLK1TP53MAPT
SCHEMBL3419382 0.76 SYK (0.43) IDH2SYKPLK1TP53MAPT
SCHEMBL3266663 0.76 IDH2 (0.38) IDH2SYKPLK1TP53MAPT
SCHEMBL3420436 0.76 IDH2 (0.38) IDH2SYKPLK1TP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010028179-A1 HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-03-11 WO claimed