SCHEMBL13838419

SCHEMBL13838419

Cc1c(F)cncc1C(=O)Nc1cnc(-c2cc(C3C=NN(C)C3)ccc2Cl)cn1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 1/20 0.40
▸ ORAI1 Q96D31 1/20 0.40
▸ ORAI2 Q96SN7 1/20 0.40
▸ IL2 P60568 10/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ ABL1 P00519 4/20 0.35
▸ NTRK1 P04629 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
SCHEMBL13838584 0.87 SCN9A (0.34) STIM1ORAI1ORAI2IL2ABL1
SCHEMBL13838327 0.79 IL2 (0.43) IL2ABL1
SCHEMBL13838556 0.78 IL2 (0.44) STIM1ORAI1ORAI2IL2
SCHEMBL13838376 0.77 STIM1 (0.41) STIM1ORAI1ORAI2IL2NPC1
SCHEMBL13838380 0.76 GRM5 (0.45) STIM1ORAI1ORAI2IL2NPC1
SCHEMBL13838379 0.75 GRM5 (0.45) STIM1ORAI1ORAI2IL2NPC1
SCHEMBL13838382 0.75 GRM5 (0.45) STIM1ORAI1ORAI2IL2NPC1
SCHEMBL13838336 0.75 IL2 (0.43) STIM1ORAI1ORAI2IL2NPC1
SCHEMBL15803791 0.75 IL2 (0.44) STIM1ORAI1ORAI2IL2NPC1
SCHEMBL13838577 0.75 IL2 (0.35) IL2ABL1

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-2012151355-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2012-11-08 — — WO disclosed
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