SCHEMBL12491982

SCHEMBL12491982

CC(C)(C)OC(=O)N1CCC(NCCc2ccccc2)C(C)(C)C1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ STS P08842 1/20 0.49
▸ KEAP1 Q14145 1/20 0.47
▸ NFE2L2 Q16236 1/20 0.47
▸ GPR119 Q8TDV5 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ JAK2 O60674 1/20 0.45
▸ JAK1 P23458 1/20 0.45
▸ LMNA P02545 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ GAA P10253 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ KDM1A O60341 1/20 0.42
▸ USP30 Q70CQ3 1/20 0.42
▸ DRD4 P21917 1/20 0.41
▸ YAP1 P46937 1/20 0.41

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
SCHEMBL4167179 0.89 STS (0.51) STSKEAP1NFE2L2GPR119KDM4E
SCHEMBL15507263 0.89 STS (0.51) STSKEAP1NFE2L2GPR119KDM4E
SCHEMBL4696864 0.85 DRD4 (0.46) KDM4EPKMPOLBMAPTDRD4
SCHEMBL20400129 0.82 HTT (0.48) STSKEAP1NFE2L2GPR119SMN1; SMN2
SCHEMBL2106890 0.82 STS (0.57) STSKEAP1NFE2L2GPR119KDM4E
SCHEMBL3064086 0.82 EPHX1 (0.41) KEAP1NFE2L2GPR119KDM4EPKM
SCHEMBL4367160 0.81 STS (0.48) STSKEAP1NFE2L2GPR119KDM4E
SCHEMBL15022821 0.81 YAP1 (0.46) POLBMAPTYAP1
SCHEMBL29042864 0.80 USP30 (0.57) STSKEAP1NFE2L2GPR119KDM4E
SCHEMBL29042862 0.80 USP30 (0.57) STSKEAP1NFE2L2GPR119KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2892899-A1 IMIDAZOPYRIDAZINE JAK3 INHIBITORS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES Bristol-Myers Squibb Company (US) 2015-07-15 — — EP disclosed
WO-2014039595-A1 IMIDAZOPYRIDAZINE JAK3 INHIBITORS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2014-03-13 — — WO disclosed
EP-2686321-A1 PYRROLOPYRIDAZINE JAK3 INHIBITORS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES Bristol-Myers Squibb Company (US) 2014-01-22 — — EP disclosed
WO-2012125893-A1 PYRROLOPYRIDAZINE JAK3 INHIBITORS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2012-09-20 — — WO disclosed
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