SCHEMBL8263131

SCHEMBL8263131

Cc1ccc(-c2nnn[nH]2)cc1-c1ccc(NC(=O)c2c(C)cccc2F)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL2 P60568 14/20 0.60
TNF P01375 1/20 0.42
STIM1 Q13586 1/20 0.42
ORAI1 Q96D31 1/20 0.42
KIT P10721 1/20 0.40
KDR P35968 1/20 0.40
FLT3 P36888 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 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
ITGB1 P05556 1/20 0.40
ITGA4 P13612 1/20 0.40
MAPT P10636 1/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
CCNA2 P20248 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
SCHEMBL4762919 0.96 IL2 (0.64) IL2TNFSTIM1ORAI1KIT
SCHEMBL8263169 0.81 IL2 (0.58) IL2TNFSTIM1ORAI1MEN1
SCHEMBL5554267 0.79 IL2 (0.63) IL2STIM1ORAI1
SCHEMBL16471113 0.78 IL2 (0.63) IL2TNFSTIM1ORAI1MEN1
SCHEMBL4762593 0.78 IL2 (0.41) IL2STIM1ORAI1KDRTYK2
SCHEMBL4769130 0.78 IL2 (0.68) IL2TNFSTIM1ORAI1KIT
SCHEMBL4724606 0.77 IL2 (0.70) IL2TNFSTIM1ORAI1KIT
SCHEMBL8261671 0.77 IL2 (0.66) IL2TNFSTIM1ORAI1JAK2
SCHEMBL1828207 0.77 IL2 (0.63) IL2TNFSTIM1ORAI1MEN1
SCHEMBL4769509 0.76 IL2 (0.65) IL2TNFSTIM1ORAI1MEN1

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