SCHEMBL8070992

SCHEMBL8070992

Cc1cccc(F)c1C(=O)Nc1cnc(-n2c(C(F)(F)F)nc3cc(N)ccc32)cn1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 1/20 0.44
ORAI1 Q96D31 1/20 0.44
ORAI2 Q96SN7 1/20 0.44
IL2 P60568 6/20 0.38
SCN9A Q15858 5/20 0.38
SCN5A Q14524 1/20 0.36
PTGS1 P23219 1/20 0.36
RORC P51449 2/20 0.36
RXRA P19793 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ABL1 P00519 1/20 0.34
LCK P06239 1/20 0.34
ECE1 P42892 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
SCHEMBL3103841 0.94 MEN1 (0.40) STIM1ORAI1ORAI2IL2SCN9A
SCHEMBL8062134 0.91 STIM1 (0.44) STIM1ORAI1ORAI2IL2SCN9A
SCHEMBL11940274 0.87 IL2 (0.41) STIM1ORAI1ORAI2IL2SCN9A
SCHEMBL3096594 0.84 STIM1 (0.44) STIM1ORAI1ORAI2IL2RORC
SCHEMBL647154 0.83 RAB9A (0.43) IL2RORCMEN1KMT2A
SCHEMBL3097975 0.83 IL2 (0.39) STIM1ORAI1ORAI2IL2RORC
SCHEMBL646344 0.82 RXRA (0.44) STIM1ORAI1IL2RORCRXRA
SCHEMBL647102 0.82 IL2 (0.41) IL2RORCRXRAMEN1KMT2A
SCHEMBL14373602 0.82 MEN1 (0.39) STIM1ORAI1ORAI2IL2RORC
SCHEMBL13099813 0.81 RORC (0.37) STIM1ORAI1ORAI2IL2RORC

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-2009038775-A1 SUBSTITUTED BENZOIMIDAZOLYL-PYRAZINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2009-03-26 WO disclosed