SCHEMBL8257607

SCHEMBL8257607

C=CO/C(=N\C)c1ccc(Cl)c(-c2cnc(NC(=O)c3c(F)cncc3F)cn2)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ IL2 P60568 13/20 0.42
▸ STIM1 Q13586 1/20 0.42
▸ ORAI1 Q96D31 1/20 0.42
▸ ORAI2 Q96SN7 1/20 0.42
▸ KCNQ3 O43525 1/20 0.33
▸ KCNQ2 O43526 1/20 0.33
▸ KCNE1 P15382 1/20 0.33
▸ KCNQ1 P51787 1/20 0.33
▸ KCNQ5 Q9NR82 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ RIPK2 O43353 1/20 0.32

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
SCHEMBL8251749 0.90 IL2 (0.53) IL2STIM1ORAI1ORAI2ABL1
SCHEMBL8257603 0.89 IL2 (0.45) IL2STIM1ORAI1ORAI2MAOB
SCHEMBL8256457 0.88 IL2 (0.44) IL2STIM1ORAI1ORAI2KCNQ3
SCHEMBL8259736 0.83 IL2 (0.38) IL2STIM1ORAI1ORAI2NPC1
SCHEMBL5554338 0.82 IL2 (0.48) IL2STIM1ORAI1ORAI2KCNQ3
SCHEMBL8256955 0.82 IL2 (0.44) IL2STIM1ORAI1ORAI2KCNQ3
SCHEMBL8257487 0.81 POLB (0.40) STIM1ORAI1ORAI2MAOB
SCHEMBL8260159 0.80 IL2 (0.55) IL2STIM1ORAI1ORAI2ABL1
SCHEMBL5554256 0.79 IL2 (0.47) IL2STIM1ORAI1ORAI2NPC1
SCHEMBL15395779 0.78 STIM1 (0.53) IL2STIM1ORAI1ORAI2KCNQ3

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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