SCHEMBL10124778

SCHEMBL10124778

O=COCc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NC(=O)c2c(F)cccc2F)cn1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.35
STIM1 Q13586 2/20 0.35
ORAI1 Q96D31 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ORAI3 Q9BRQ5 1/20 0.35
IL2 P60568 9/20 0.35
CRACR2A Q9BSW2 1/20 0.34
NPC1 O15118 1/20 0.33
CYP1A2 P05177 1/20 0.33
RAB9A P51151 1/20 0.33
HCRTR1 O43613 2/20 0.33
EPHX2 P34913 1/20 0.33
SCN5A Q14524 1/20 0.32
SCN9A Q15858 1/20 0.32

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
SCHEMBL8234343 0.89 IL2 (0.38) RORCSTIM1ORAI1MEN1KMT2A
SCHEMBL3096594 0.85 STIM1 (0.44) RORCSTIM1ORAI1MEN1KMT2A
SCHEMBL14373602 0.85 MEN1 (0.39) RORCSTIM1ORAI1MEN1KMT2A
SCHEMBL3103841 0.83 MEN1 (0.40) RORCSTIM1ORAI1MEN1KMT2A
SCHEMBL11940274 0.83 IL2 (0.41) RORCSTIM1ORAI1MEN1KMT2A
SCHEMBL648215 0.83 MEN1 (0.40) RORCMEN1KMT2AIL2NPC1
SCHEMBL647154 0.82 RAB9A (0.43) RORCMEN1KMT2AIL2CRACR2A
SCHEMBL646344 0.82 RXRA (0.44) RORCSTIM1ORAI1MEN1KMT2A
SCHEMBL647102 0.82 IL2 (0.41) RORCMEN1KMT2AIL2CRACR2A
SCHEMBL13099813 0.81 RORC (0.37) RORCSTIM1ORAI1MEN1KMT2A

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