SCHEMBL8263169

SCHEMBL8263169

Cc1ccc(-c2ccncc2)cc1-c1ccc(NC(=O)c2c(C)cccc2F)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IL2 P60568 13/20 0.58
TYK2 P29597 3/20 0.55
JAK2 O60674 2/20 0.55
JAK1 P23458 2/20 0.55
HTT P42858 1/20 0.55
NOD2 Q9HC29 1/20 0.55
TNF P01375 1/20 0.45
STIM1 Q13586 1/20 0.45
ORAI1 Q96D31 1/20 0.45
MAPK7 Q13164 1/20 0.44
MAPK14 Q16539 1/20 0.44
LMNA P02545 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL4766353 0.95 IL2 (0.63) IL2TYK2JAK2JAK1HTT
SCHEMBL4768204 0.83 IL2 (0.60) IL2TYK2JAK2JAK1HTT
SCHEMBL8261671 0.82 IL2 (0.66) IL2TYK2JAK2JAK1HTT
SCHEMBL8263131 0.81 IL2 (0.60) IL2TYK2JAK2JAK1HTT
SCHEMBL8193723 0.80 TYK2 (0.62) IL2TYK2JAK2JAK1HTT
SCHEMBL1828207 0.80 IL2 (0.63) IL2TYK2JAK2JAK1HTT
SCHEMBL16471113 0.80 IL2 (0.63) IL2TYK2JAK2JAK1HTT
SCHEMBL4764906 0.79 IL2 (0.60) IL2TYK2JAK2JAK1HTT
SCHEMBL4770059 0.79 IL2 (0.62) IL2TYK2JAK2JAK1HTT
SCHEMBL16471123 0.79 IL2 (0.62) IL2TYK2JAK2JAK1HTT

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