SCHEMBL17644782

SCHEMBL17644782

CCc1ccc(-c2nn(C)c(=O)o2)cc1-c1ccc(NC(=O)Oc2snnc2C)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ IL2 P60568 5/20 0.47
▸ TNF P01375 1/20 0.40
▸ STIM1 Q13586 1/20 0.40
▸ ORAI1 Q96D31 1/20 0.40
▸ NOTUM Q6P988 1/20 0.34
▸ PSMB8 P28062 1/20 0.32
▸ MAPK14 Q16539 3/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ HTT P42858 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ PDE5A O76074 1/20 0.30
▸ GAA P10253 1/20 0.30

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
SCHEMBL17644786 0.89 IL2 (0.47) IL2TNFSTIM1ORAI1NOTUM
SCHEMBL17644788 0.86 IL2 (0.47) IL2TNFSTIM1ORAI1NOTUM
SCHEMBL17644785 0.85 IL2 (0.46) IL2TNFSTIM1ORAI1NOTUM
SCHEMBL15205055 0.85 IL2 (0.53) IL2TNFSTIM1ORAI1MAPK14
SCHEMBL17644787 0.83 IL2 (0.59) IL2TNFSTIM1ORAI1NOTUM
SCHEMBL15528145 0.74 IL2 (0.48) IL2TNFSTIM1ORAI1KMT2A
SCHEMBL15205186 0.74 IL2 (0.54) IL2TNFSTIM1ORAI1NOTUM
SCHEMBL2732613 0.73 IL2 (0.79) IL2TNFSTIM1ORAI1RAB9A
SCHEMBL2731521 0.72 IL2 (0.77) IL2TNFSTIM1ORAI1
SCHEMBL2733507 0.72 IL2 (0.51) IL2TNFSTIM1ORAI1MAPK14

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
EP-2632906-B1 OXAZOLINE AND ISOXAZOLINE DERIVATIVES AS CRAC MODULATORS LUPIN LTD (IN) 2016-04-06 — — EP claimed
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