SCHEMBL6127909

SCHEMBL6127909

C=C1OC(c2cccc(-c3cnc(NC(=O)c4c(F)cccc4F)cn3)c2CC)=NN1C

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ IL2 P60568 14/20 0.49
▸ STIM1 Q13586 3/20 0.43
▸ ORAI1 Q96D31 3/20 0.43
▸ ORAI2 Q96SN7 1/20 0.43
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TNF P01375 1/20 0.35
▸ SCN5A Q14524 1/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ RORC P51449 1/20 0.33
▸ TRPA1 O75762 1/20 0.33

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
SCHEMBL2733191 0.80 IL2 (0.69) IL2STIM1ORAI1ORAI2MEN1
SCHEMBL16362415 0.75 IL2 (0.53) IL2STIM1ORAI1ORAI2MEN1
SCHEMBL16362392 0.73 IL2 (0.53) IL2STIM1ORAI1ORAI2MEN1
SCHEMBL15395893 0.71 IL2 (0.65) IL2STIM1ORAI1ORAI2MEN1
SCHEMBL16362094 0.71 IL2 (0.60) IL2STIM1ORAI1ORAI2MEN1
SCHEMBL17766343 0.70 IL2 (0.59) IL2STIM1ORAI1ORAI2MEN1
SCHEMBL15395848 0.70 IL2 (0.54) IL2STIM1ORAI1ORAI2MEN1
SCHEMBL5998475 0.70 IL2 (0.50) IL2STIM1ORAI1ORAI2MEN1
SCHEMBL12155494 0.70 IL2 (0.56) IL2STIM1ORAI1ORAI2MEN1
SCHEMBL17766395 0.70 IL2 (0.55) IL2STIM1ORAI1ORAI2MEN1

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-2012056478-A1 OXAZOLE AND ISOXAZOLE CRAC MODULATORS LUPIN LIMITED (IN) 2012-05-03 — — WO disclosed
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