SCHEMBL8263132

SCHEMBL8263132

COc1ncc(Cl)cc1-c1ccc(NC(=O)c2c(C)cccc2F)cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ IL2 P60568 10/20 0.47
▸ CTSA P10619 3/20 0.45
▸ ITGB1 P05556 1/20 0.44
▸ ITGA4 P13612 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ STIM1 Q13586 1/20 0.44
▸ ORAI1 Q96D31 1/20 0.44
▸ ORAI2 Q96SN7 1/20 0.44
▸ BRAF P15056 1/20 0.43
▸ FFAR4 Q5NUL3 1/20 0.43

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
SCHEMBL4766505 0.94 IL2 (0.53) IL2RAB9ASTIM1ORAI1FFAR4
SCHEMBL2893809 0.85 IL2 (0.45) IL2RAB9ASTIM1ORAI1
SCHEMBL8257121 0.83 STIM1 (0.61) IL2RAB9ASTIM1ORAI1ORAI2
SCHEMBL4761818 0.79 ORAI1 (0.65) RAB9ASTIM1ORAI1FFAR4
SCHEMBL4761819 0.78 STIM1 (0.50) CTSASTIM1ORAI1FFAR4
SCHEMBL5556022 0.76 STIM1 (0.53) IL2RAB9ASTIM1ORAI1ORAI2
SCHEMBL15528440 0.76 IL2 (0.71) IL2RAB9ASTIM1ORAI1
SCHEMBL8296803 0.75 IL2 (0.56) IL2RAB9ASTIM1ORAI1
SCHEMBL2308121 0.73 IL2 (0.58) IL2RAB9A
SCHEMBL12093752 0.72 IL2 (0.57) IL2RAB9ASTIM1ORAI1

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
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