SCHEMBL3264147

SCHEMBL3264147

CC(C)(C)Nc1cc(-c2ccccc2)nc(Nc2ccc(C3CCC3)cc2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.45
IDH2 P48735 1/20 0.43
SYK P43405 1/20 0.43
TP53 P04637 3/20 0.40
MAPT P10636 3/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 1/20 0.40
VCP P55072 1/20 0.40
PLK1 P53350 2/20 0.40
THRB P10828 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ADORA1 P30542 3/20 0.39
ADORA3 P0DMS8 2/20 0.37
ADORA2A P29274 2/20 0.37
DHODH Q02127 1/20 0.37
IGF1R P08069 1/20 0.37
KDM4E B2RXH2 1/20 0.37
PTGS2 P35354 1/20 0.36
MAP4K1 Q92918 1/20 0.36

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
SCHEMBL3265196 0.82 IDH2 (0.45) IDH2SYKTP53MAPTLMNA
SCHEMBL3229954 0.79 IDH2 (0.43) IDH2SYKTP53MAPTLMNA
SCHEMBL3224227 0.78 PTGS2 (0.39) IDH2SYKTP53MAPTLMNA
SCHEMBL3264006 0.76 SYK (0.42) IDH2SYKTP53MAPTLMNA
SCHEMBL3235448 0.76 SYK (0.42) IDH2SYKTP53MAPTLMNA
SCHEMBL3234022 0.76 SYK (0.42) IDH2SYKTP53MAPTLMNA
SCHEMBL3265292 0.75 SYK (0.43) IDH2SYKTP53MAPTLMNA
SCHEMBL3263101 0.75 SYK (0.41) IDH2SYKTP53MAPTLMNA
SCHEMBL3266663 0.74 IDH2 (0.38) IDH2SYKTP53MAPTLMNA
SCHEMBL3419382 0.74 SYK (0.43) IDH2SYKTP53MAPTLMNA

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