SCHEMBL19262118

SCHEMBL19262118

Cc1ccc(C2=NN(C)C(O)O2)cc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ IL2 P60568 18/20 0.64
▸ TNF P01375 1/20 0.51
▸ STIM1 Q13586 1/20 0.51
▸ ORAI1 Q96D31 1/20 0.51
▸ JAK2 O60674 1/20 0.40
▸ JAK1 P23458 1/20 0.40
▸ TYK2 P29597 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ NOD2 Q9HC29 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL15205182 0.78 IL2 (1.00) IL2TNFSTIM1ORAI1
SCHEMBL1828207 0.77 IL2 (0.63) IL2TNFSTIM1ORAI1JAK2
SCHEMBL15205531 0.77 IL2 (0.68) IL2TNFSTIM1ORAI1HTT
SCHEMBL4766353 0.76 IL2 (0.63) IL2TNFSTIM1ORAI1JAK2
SCHEMBL16471113 0.76 IL2 (0.63) IL2TNFSTIM1ORAI1JAK2
SCHEMBL4766113 0.76 IL2 (0.65) IL2TNFSTIM1ORAI1JAK2
SCHEMBL4769509 0.76 IL2 (0.65) IL2TNFSTIM1ORAI1JAK2
SCHEMBL2728343 0.76 IL2 (1.00) IL2TNFSTIM1ORAI1HTT
SCHEMBL4770059 0.76 IL2 (0.62) IL2TNFSTIM1ORAI1JAK2
SCHEMBL16471105 0.75 IL2 (0.61) IL2TNFSTIM1ORAI1JAK2

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-9737534-B2 Oxazoline and isoxazoline derivatives as CRAC modulators LUPIN LIMITED (IN) 2017-08-22 — — US disclosed
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