SCHEMBL18644664

SCHEMBL18644664

CC(C)(C)OC(=O)N1CC[C@@H](n2c(=O)[nH]c3c(N(Cc4ccccc4)Cc4ccccc4)nccc32)C1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.49
▸ JAK1 P23458 1/20 0.49
▸ HTR6 P50406 1/20 0.43
▸ CCR5 P51681 1/20 0.42
▸ USP30 Q70CQ3 4/20 0.42
▸ PARP1 P09874 2/20 0.41
▸ PARP2 Q9UGN5 2/20 0.41
▸ GPR119 Q8TDV5 2/20 0.40
▸ EGFR P00533 1/20 0.40
▸ SRC P12931 1/20 0.40
▸ HPGDS O60760 1/20 0.40
▸ BTK Q06187 1/20 0.40
▸ HCAR1 Q9BXC0 1/20 0.39
▸ HSD11B1 P28845 1/20 0.39
▸ STS P08842 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ BRD4 O60885 1/20 0.38

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
SCHEMBL18645213 0.95 HTR6 (0.47) JAK2JAK1HTR6CCR5USP30
SCHEMBL15171143 0.88 JAK2 (0.49) JAK2JAK1HTR6CCR5USP30
SCHEMBL15711178 0.88 JAK2 (0.49) JAK2JAK1HTR6CCR5USP30
SCHEMBL28076558 0.88 CALCRL (0.40) PARP1PARP2ACHE
SCHEMBL28076562 0.88 CALCRL (0.40) PARP1PARP2ACHE
SCHEMBL30111801 0.87 HTR6 (0.40) JAK2JAK1HTR6SRCHPGDS
SCHEMBL18289976 0.87 HTR6 (0.40) JAK2JAK1HTR6SRCHPGDS
SCHEMBL15171260 0.84 HTR6 (0.46) JAK2JAK1HTR6USP30GPR119
SCHEMBL16341186 0.84 HTR6 (0.46) JAK2JAK1HTR6USP30GPR119
SCHEMBL18645205 0.83 HTR6 (0.55) JAK2JAK1HTR6USP30PARP1

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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