SCHEMBL8263177

SCHEMBL8263177

CC(=N)/C=C(\O)c1ccc(C)c(-c2ccc(NC(=O)c3c(F)cccc3F)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IL2 P60568 12/20 0.54
MAPK14 Q16539 4/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TNF P01375 1/20 0.42
STIM1 Q13586 1/20 0.42
ORAI1 Q96D31 1/20 0.42
NPC1 O15118 2/20 0.40
TP53 P04637 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
HTT P42858 1/20 0.40
NOD2 Q9HC29 1/20 0.40

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
SCHEMBL4762822 0.85 IL2 (0.60) IL2MAPK14MEN1KMT2ATNF
SCHEMBL8261688 0.84 IL2 (0.57) IL2MAPK14MEN1KMT2ATNF
SCHEMBL8263163 0.82 IL2 (0.53) IL2MAPK14MEN1KMT2ATNF
SCHEMBL4769885 0.81 IL2 (0.65) IL2MAPK14MEN1KMT2ANPC1
SCHEMBL8261674 0.80 IL2 (0.52) IL2MAPK14MEN1KMT2ATNF
SCHEMBL16471116 0.79 IL2 (0.57) IL2MAPK14MEN1KMT2A
SCHEMBL1828207 0.79 IL2 (0.63) IL2MEN1KMT2ATNFSTIM1
SCHEMBL8263164 0.78 IL2 (0.51) IL2MAPK14MEN1KMT2ATNF
SCHEMBL8261669 0.78 IL2 (0.51) IL2MAPK14MEN1KMT2ATNF
SCHEMBL8261672 0.78 IL2 (0.52) IL2MAPK14MEN1KMT2ATNF

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-2006083477-A2 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2006-08-10 WO disclosed