SCHEMBL28345014

SCHEMBL28345014

CC1(C)OC(c2cnn(C3CCN(C(=O)O)CC3)c2)OC1(C)C

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM5A P29375 2/20 0.35
▸ DDB1 Q16531 1/20 0.35
▸ CRBN Q96SW2 1/20 0.35
▸ MAP3K7 O43318 7/20 0.35
▸ TAB1 Q15750 7/20 0.35
▸ ACHE P22303 3/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ TYK2 P29597 1/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ CLK2 P49760 3/20 0.32
▸ CLK3 P49761 3/20 0.32
▸ DYRK1A Q13627 3/20 0.32
▸ GSK3B P49841 2/20 0.32
▸ HCRTR1 O43613 1/20 0.32
▸ HCRTR2 O43614 1/20 0.32
▸ MET P08581 1/20 0.32

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
SCHEMBL2681713 0.84 DDB1 (0.52) DDB1CRBNIRAK4JAK2JAK3
SCHEMBL31553946 0.84 HCRTR1 (0.33) ACHEHCRTR1HCRTR2
SCHEMBL31260499 0.83 GAA (0.37) IRAK4CLK2CLK3DYRK1AGSK3B
SCHEMBL27951646 0.80 DDB1 (0.36) DDB1CRBNACHEIRAK4CLK2
SCHEMBL28803589 0.79 LRRK2 (0.36) IRAK4JAK2JAK1JAK3HCRTR1
SCHEMBL991994 0.78 DDB1 (0.38) DDB1CRBNACHEIRAK4JAK2
SCHEMBL320321 0.77 FFAR1 (0.42) KDM5ADDB1CRBNMAP3K7TAB1
SCHEMBL31553951 0.76 PIM1 (0.36) KDM5AHCRTR1HCRTR2
SCHEMBL17541510 0.76 OGA (0.43) KDM5ADDB1CRBNMAP3K7TAB1
SCHEMBL12095709 0.75 HCRTR1 (0.33) HCRTR1HCRTR2

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
CN-110627770-A Tetrahydroquinoline compositions as BET bromodomain inhibitors 福马疗法公司 2019-12-31 — — CN disclosed
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