SCHEMBL10151287

SCHEMBL10151287

COc1ccc2nc(CF)n(-c3cnc(NCc4snnc4C)cn3)c2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BMI1 P35226 3/20 0.34
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
GFER P55789 1/20 0.32
APP P05067 1/20 0.32
TP53 P04637 2/20 0.31
MAPT P10636 2/20 0.31
LMNA P02545 2/20 0.31
GAA P10253 2/20 0.31
HTT P42858 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PDE2A O00408 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
PPARG P37231 1/20 0.31
LCK P06239 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
SCHEMBL646766 0.87 MEN1 (0.33) HTTPIK3CDPIK3CAPIK3CBLCK
SCHEMBL10151409 0.83 ALDH1A1 (0.40) BMI1NPC1RAB9ATP53LMNA
SCHEMBL646986 0.81 CACNA1D (0.35) NPC1RAB9AGFERTP53HTT
SCHEMBL10151679 0.80 STIM1 (0.37) NPC1RAB9AGFERTP53LMNA
SCHEMBL10151417 0.80 MAPT (0.38) BMI1NPC1RAB9AGFERAPP
SCHEMBL10151672 0.71 RAB9A (0.44) NPC1RAB9AMAPTPPARGKDM4E
SCHEMBL10151674 0.71 TP53 (0.38) NPC1RAB9ATP53MAPTLMNA
SCHEMBL646901 0.70 KDM4E (0.38) RAB9APPARGKDM4E
SCHEMBL645672 0.69 CRACR2A (0.41) NPC1RAB9ATP53MAPTLMNA
SCHEMBL645787 0.69 IL1B (0.38) NPC1RAB9AGFERLMNAL3MBTL1

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
US-8119643-B2 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2012-02-21 US disclosed