SCHEMBL8237663

SCHEMBL8237663

C=C(Nc1nc(C)c(-c2cccc(C(F)(F)F)c2)s1)c1c(F)cccc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL2 P60568 1/20 0.46
GPR52 Q9Y2T5 6/20 0.43
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PIK3CD O00329 2/20 0.41
PIK3CA P42336 2/20 0.41
PIK3CB P42338 2/20 0.41
PIK3CG P48736 2/20 0.41
RORB Q92753 2/20 0.41
GAA P10253 2/20 0.41
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 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
SCHEMBL5049839 0.87 IL2 (0.59) IL2GPR52ALDH1A1SMN1; SMN2PIK3CD
SCHEMBL8239548 0.87 IL2 (0.46) IL2ALDH1A1SMN1; SMN2PIK3CDPIK3CA
SCHEMBL8237636 0.84 IL2 (0.46) IL2ALDH1A1SMN1; SMN2RORBKMT2A
SCHEMBL8239902 0.82 IL2 (0.41) IL2GPR52ALDH1A1SMN1; SMN2RORB
SCHEMBL8240359 0.81 IL2 (0.45) IL2GPR52ALDH1A1SMN1; SMN2RORB
SCHEMBL48415 0.81 PIK3CD (0.61) GPR52ALDH1A1SMN1; SMN2PIK3CDPIK3CA
SCHEMBL5133676 0.78 GPR52 (0.44) IL2GPR52ALDH1A1SMN1; SMN2PIK3CD
SCHEMBL5049038 0.77 IL2 (0.55) IL2ALDH1A1SMN1; SMN2RORBGAA
SCHEMBL5524865 0.76 IL2 (0.54) IL2GPR52ALDH1A1SMN1; SMN2RORB
SCHEMBL5052631 0.76 KMT2A (0.48) IL2GPR52ALDH1A1SMN1; SMN2PIK3CD

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-2007087427-A2 THIAZOLE AND THIADIAZOLE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-08-02 WO disclosed