SCHEMBL8240359

SCHEMBL8240359

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

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IL2 P60568 1/20 0.45
RORB Q92753 2/20 0.41
KMT2A Q03164 5/20 0.37
ALDH1A1 P00352 4/20 0.37
MEN1 O00255 4/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CSNK1D P48730 2/20 0.37
CFTR P13569 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PIN1 Q13526 1/20 0.36
MAPK14 Q16539 1/20 0.36
GPR52 Q9Y2T5 1/20 0.35
MAPT P10636 1/20 0.35
JAK2 O60674 1/20 0.35
KDM4E B2RXH2 1/20 0.35
KIF11 P52732 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
SCHEMBL5049013 0.90 IL2 (0.54) IL2RORBKMT2AALDH1A1MEN1
SCHEMBL8237663 0.81 IL2 (0.46) IL2RORBKMT2AALDH1A1MEN1
SCHEMBL8239548 0.81 IL2 (0.46) IL2RORBKMT2AALDH1A1MEN1
SCHEMBL5049039 0.81 IL2 (0.54) IL2RORBKMT2AALDH1A1MEN1
SCHEMBL8237636 0.81 IL2 (0.46) IL2RORBKMT2AALDH1A1MEN1
SCHEMBL5049038 0.80 IL2 (0.55) IL2RORBKMT2AALDH1A1MEN1
SCHEMBL5049909 0.78 IL2 (0.58) IL2RORBKMT2AALDH1A1MEN1
SCHEMBL8239902 0.78 IL2 (0.41) IL2RORBKMT2AALDH1A1MEN1
SCHEMBL5049766 0.77 IL2 (0.57) IL2RORBKMT2AALDH1A1MEN1
SCHEMBL5245746 0.77 IL2 (0.57) IL2RORBKMT2AALDH1A1MEN1

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