SCHEMBL8252237

SCHEMBL8252237

Cc1ccc(C#N)cc1-c1cnc(NC(=O)c2c(C)cncc2F)cn1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ IL2 P60568 12/20 0.56
▸ STIM1 Q13586 1/20 0.45
▸ ORAI1 Q96D31 1/20 0.45
▸ ORAI2 Q96SN7 1/20 0.45
▸ ABL1 P00519 2/20 0.41
▸ HDAC4 P56524 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ MAP4K1 Q92918 2/20 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
SCHEMBL15203529 0.96 IL2 (0.60) IL2STIM1ORAI1ORAI2ABL1
SCHEMBL5554312 0.85 IL2 (0.62) IL2STIM1ORAI1ORAI2ABL1
SCHEMBL15395925 0.82 IL2 (0.65) IL2STIM1ORAI1ORAI2ABL1
SCHEMBL5554285 0.82 IL2 (0.51) IL2ABL1HDAC4HDAC6MAP4K1
SCHEMBL15395984 0.79 IL2 (0.59) IL2STIM1ORAI1ORAI2ABL1
SCHEMBL15395973 0.78 IL2 (0.61) IL2STIM1ORAI1ORAI2ABL1
SCHEMBL5554401 0.78 IL2 (0.61) IL2STIM1ORAI1ORAI2ABL1
SCHEMBL5554318 0.78 IL2 (0.60) IL2STIM1ORAI1ORAI2ABL1
SCHEMBL5554353 0.78 IL2 (0.60) IL2STIM1ORAI1ORAI2ABL1
SCHEMBL8251262 0.78 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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