SCHEMBL7928314

SCHEMBL7928314

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL2 P60568 11/20 0.49
STIM1 Q13586 1/20 0.45
ORAI1 Q96D31 1/20 0.45
ORAI2 Q96SN7 1/20 0.45
HTR1F P30939 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HTR1A P08908 1/20 0.43
HTR1B P28222 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CHRM5 P08912 1/20 0.39
DRD5 P21918 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1E P28566 1/20 0.39
HTR7 P34969 1/20 0.39
OPRK1 P41145 1/20 0.39

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
SCHEMBL10101255 0.87 IL2 (0.44) IL2STIM1ORAI1ORAI2MEN1
SCHEMBL1780921 0.87 IL2 (0.44) IL2STIM1ORAI1ORAI2MEN1
SCHEMBL12603939 0.86 IL2 (0.45) IL2STIM1ORAI1ORAI2MEN1
Hydrochloric Acid SCHEMBL614866 0.86 IL2 (0.44) IL2STIM1ORAI1ORAI2MEN1
SCHEMBL7928293 0.86 IL2 (0.45) IL2STIM1ORAI1ORAI2MEN1
SCHEMBL7922608 0.85 IL2 (0.43) IL2STIM1ORAI1ORAI2MEN1
SCHEMBL1782123 0.85 IL2 (0.43) IL2STIM1ORAI1ORAI2MEN1
Hydrochloric Acid SCHEMBL614560 0.85 IL2 (0.43) IL2STIM1ORAI1ORAI2MEN1
SCHEMBL1782027 0.85 ALDH1A1 (0.52) IL2STIM1ORAI1ORAI2MEN1
SCHEMBL3825246 0.84 IL2 (0.44) IL2STIM1ORAI1ORAI2HTR1F

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