SCHEMBL18644661

SCHEMBL18644661

CC(C)(C)OC(=O)N1CC[C@@H](Nc2ccnc(N(Cc3ccccc3)Cc3ccccc3)c2[N+](=O)[O-])C1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.47
▸ JAK2 O60674 1/20 0.45
▸ JAK1 P23458 1/20 0.45
▸ USP30 Q70CQ3 8/20 0.45
▸ BTK Q06187 1/20 0.43
▸ ACHE P22303 1/20 0.41
▸ NR1D1 P20393 2/20 0.41
▸ GPR119 Q8TDV5 1/20 0.40
▸ STS P08842 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL18645210 0.95 USP30 (0.46) BRD4JAK2JAK1USP30BTK
SCHEMBL15710604 0.87 BTK (0.52) BRD4JAK2JAK1USP30BTK
SCHEMBL15143897 0.87 BTK (0.52) BRD4JAK2JAK1USP30BTK
SCHEMBL23450710 0.87 ALDH1A1 (0.41) USP30BTKNR1D1STS
SCHEMBL18290014 0.87 ALDH1A1 (0.41) USP30BTKNR1D1STS
SCHEMBL30111806 0.87 ALDH1A1 (0.41) USP30BTKNR1D1STS
SCHEMBL18644660 0.87 BRD4 (0.51) BRD4JAK2JAK1USP30BTK
SCHEMBL18645207 0.84 ACKR3 (0.46) BRD4JAK2JAK1USP30ACHE
SCHEMBL28233733 0.83 JAK3 (0.38) —
SCHEMBL28233730 0.83 JAK3 (0.38) —

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-2017041536-A1 OXO-DIHYDROIMIDAZO PYRIDINE COMPOUND AND APPLICATIONS THEREOF 东莞市真兴贝特医药技术有限公司 2017-03-16 — — WO disclosed
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