SCHEMBL7914099

SCHEMBL7914099

CC1=C(c2cnc(NC(=O)c3c(F)cccc3F)cn2)CN(c2ncccc2N)CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IL2 P60568 9/20 0.41
STIM1 Q13586 1/20 0.41
ORAI1 Q96D31 1/20 0.41
ORAI2 Q96SN7 1/20 0.41
MALT1 Q9UDY8 3/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PRKCA P17252 1/20 0.35
PRKCQ Q04759 1/20 0.35
TRPV1 Q8NER1 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
SCHEMBL7922608 0.93 IL2 (0.43) IL2STIM1ORAI1ORAI2NPC1
Hydrochloric Acid SCHEMBL614560 0.92 IL2 (0.43) IL2STIM1ORAI1ORAI2NPC1
SCHEMBL1782159 0.91 IL2 (0.42) IL2STIM1ORAI1ORAI2NPC1
SCHEMBL614875 0.90 IL2 (0.43) IL2STIM1ORAI1ORAI2MALT1
SCHEMBL7920820 0.90 STIM1 (0.44) IL2STIM1ORAI1ORAI2MALT1
Hydrochloric Acid SCHEMBL616904 0.89 STIM1 (0.44) IL2STIM1ORAI1ORAI2MALT1
SCHEMBL616586 0.87 TRPV1 (0.41) IL2STIM1ORAI1ORAI2MALT1
SCHEMBL10101276 0.87 IL2 (0.40) IL2STIM1ORAI1ORAI2NPC1
SCHEMBL10101255 0.87 IL2 (0.44) IL2STIM1ORAI1ORAI2NPC1
SCHEMBL616313 0.87 STIM1 (0.43) IL2STIM1ORAI1ORAI2MALT1

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-2010039236-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2010-04-08 WO disclosed