SCHEMBL19464543

SCHEMBL19464543

COC(=O)C1(C)CC(=O)c2cc(C)c(-c3cnc(NC(=O)c4c(F)cc(C)cc4F)cn3)cc2O1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ IL2 P60568 18/20 0.46
▸ STIM1 Q13586 2/20 0.44
▸ ORAI1 Q96D31 2/20 0.44
▸ ORAI2 Q96SN7 1/20 0.44

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
SCHEMBL16334497 0.92 IL2 (0.55) IL2STIM1ORAI1ORAI2
SCHEMBL19464544 0.85 IL2 (0.42) IL2STIM1ORAI1ORAI2
SCHEMBL16334415 0.84 IL2 (0.56) IL2STIM1ORAI1ORAI2
SCHEMBL16335085 0.83 IL2 (0.55) IL2STIM1ORAI1ORAI2
SCHEMBL16335435 0.81 IL2 (0.61) IL2STIM1ORAI1ORAI2
SCHEMBL17762909 0.79 IL2 (0.55) IL2STIM1ORAI1ORAI2
SCHEMBL16334408 0.78 IL2 (0.55) IL2STIM1ORAI1ORAI2
SCHEMBL16335318 0.77 STIM1 (0.54) IL2STIM1ORAI1ORAI2
SCHEMBL16335014 0.77 STIM1 (0.54) IL2STIM1ORAI1ORAI2
SCHEMBL16339913 0.77 STIM1 (0.54) IL2STIM1ORAI1ORAI2

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
US-9790231-B2 Chromane and chromene derivatives and their use as CRAC modulators LUPIN LIMITED (IN) 2017-10-17 — — US disclosed
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