SCHEMBL8263029

SCHEMBL8263029

C=C/C=C(\SC)c1ccc(C)c(-c2ccc(NC(=O)c3ccncc3C)s2)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ IL2 P60568 5/20 0.44
▸ ABL1 P00519 2/20 0.33
▸ IKBKE Q14164 2/20 0.32
▸ TBK1 Q9UHD2 2/20 0.32
▸ MAPK14 Q16539 3/20 0.31
▸ CSF1R P07333 2/20 0.31
▸ POLQ O75417 1/20 0.31
▸ LCK P06239 1/20 0.31
▸ KDR P35968 1/20 0.31
▸ CYP11B2 P19099 1/20 0.31
▸ MAPK13 O15264 2/20 0.31
▸ MAPK12 P53778 2/20 0.31
▸ MAPK11 Q15759 2/20 0.31
▸ TYK2 P29597 1/20 0.31
▸ S1PR2 O95136 1/20 0.31
▸ S1PR4 O95977 1/20 0.31
▸ BLK P51451 1/20 0.30
▸ BTK Q06187 1/20 0.30

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
SCHEMBL8263040 0.92 IL2 (0.46) IL2ABL1IKBKETBK1
SCHEMBL8264012 0.86 IL2 (0.49) IL2ABL1MAPK14CSF1RPOLQ
SCHEMBL8262107 0.86 IL2 (0.45) IL2ABL1IKBKETBK1MAPK14
SCHEMBL8263031 0.84 IL2 (0.55) IL2ABL1MAPK14MAPK13MAPK12
SCHEMBL8262625 0.82 IL2 (0.44) IL2ABL1IKBKETBK1MAPK14
SCHEMBL8258486 0.82 IL2 (0.46) IL2ABL1
SCHEMBL8262105 0.81 IL2 (0.47) IL2ABL1IKBKETBK1MAPK14
SCHEMBL8263038 0.80 IL2 (0.42) IL2
SCHEMBL8262099 0.79 IL2 (0.47) IL2ABL1MAPK14CSF1RLCK
SCHEMBL8263054 0.79 IL2 (0.42) IL2MAPK14CSF1RPOLQCYP11B2

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-2006081389-A1 THIOPHENE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2006-08-03 — — WO disclosed
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