SCHEMBL10151679

SCHEMBL10151679

COc1ccc2nc(CF)n(-c3cnc(NCc4c(F)cccc4F)cn3)c2c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 3/20 0.37
ORAI1 Q96D31 3/20 0.37
ADORA2A P29274 10/20 0.37
ADORA1 P30542 10/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
GFER P55789 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
TP53 P04637 1/20 0.34
MEN1 O00255 1/20 0.34
PKM P14618 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LCK P06239 1/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34

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
SCHEMBL646781 0.86 STIM1 (0.42) STIM1ORAI1ADORA2AADORA1GFER
SCHEMBL10151672 0.83 RAB9A (0.44) NPC1RAB9AMEN1KMT2A
SCHEMBL10151417 0.81 MAPT (0.38) NPC1RAB9AGFERTP53MEN1
SCHEMBL10151287 0.80 BMI1 (0.34) NPC1RAB9AGFERSMN1; SMN2TP53
SCHEMBL647785 0.79 STIM1 (0.40) STIM1ORAI1ADORA2AADORA1SMN1; SMN2
SCHEMBL647452 0.74 LCK (0.38) STIM1ORAI1ADORA2AADORA1RAB9A
SCHEMBL10151674 0.72 TP53 (0.38) STIM1ORAI1NPC1RAB9ASMN1; SMN2
SCHEMBL10151409 0.72 ALDH1A1 (0.40) ORAI1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL645388 0.72 STIM1 (0.40) STIM1ORAI1SMN1; SMN2MEN1KMT2A
SCHEMBL647646 0.71 STIM1 (0.38) STIM1ORAI1ADORA2AADORA1SMN1; SMN2

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