SCHEMBL8258543

SCHEMBL8258543

C=C/C=C(\SC)c1ccc(C)c(-c2cnc(NC(=O)c3c(C)cncc3F)cn2)c1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ IL2 P60568 16/20 0.50
▸ STIM1 Q13586 1/20 0.41
▸ ORAI1 Q96D31 1/20 0.41
▸ ORAI2 Q96SN7 1/20 0.41
▸ ABL1 P00519 3/20 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
SCHEMBL8258483 0.87 IL2 (0.55) IL2STIM1ORAI1ORAI2ABL1
SCHEMBL8258486 0.84 IL2 (0.46) IL2ABL1
SCHEMBL8258139 0.83 IL2 (0.54) IL2STIM1ORAI1ORAI2ABL1
SCHEMBL8260246 0.79 LMNA (0.39) IL2
SCHEMBL8260065 0.79 IL2 (0.53) IL2STIM1ORAI1ORAI2ABL1
SCHEMBL8263031 0.79 IL2 (0.55) IL2STIM1ORAI1ABL1
SCHEMBL5554401 0.79 IL2 (0.61) IL2STIM1ORAI1ORAI2ABL1
SCHEMBL8256945 0.78 IL2 (0.54) IL2STIM1ORAI1ORAI2ABL1
SCHEMBL5554353 0.78 IL2 (0.60) IL2STIM1ORAI1ORAI2ABL1
SCHEMBL8251262 0.77 IL2 (0.51) IL2STIM1ORAI1ORAI2ABL1

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-2006081391-A2 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2006-08-03 — — WO disclosed
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