SCHEMBL21177698

SCHEMBL21177698

CC(C)(C)OC(=O)NNc1cc(N2CC[C@H](Oc3cnccc3C#N)C2)ncn1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 5/20 0.40
▸ SUV39H2 Q9H5I1 2/20 0.39
▸ PDE10A Q9Y233 1/20 0.39
▸ RET P07949 7/20 0.39
▸ TBK1 Q9UHD2 3/20 0.38
▸ IKBKE Q14164 1/20 0.38
▸ GPR6 P46095 1/20 0.37
▸ JAK3 P52333 1/20 0.36
▸ BTK Q06187 1/20 0.36

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
SCHEMBL21177943 0.88 PDE10A (0.40) PDE10ARETTBK1IKBKEGPR6
SCHEMBL21191757 0.85 PDE10A (0.44) PDE10ARETTBK1IKBKEGPR6
SCHEMBL21177314 0.81 PDE10A (0.43) PDE10ARETTBK1IKBKEGPR6
SCHEMBL21191758 0.81 PDE10A (0.43) PDE10ARETTBK1IKBKEGPR6
Hydrochloric Acid SCHEMBL21177938 0.80 PDE10A (0.42) PDE10ARETTBK1IKBKEGPR6
SCHEMBL21191756 0.75 PDE10A (0.42) PDE10ARETGPR6
SCHEMBL21177705 0.75 PDE10A (0.42) PDE10ARETGPR6
SCHEMBL21191755 0.75 GPR119 (0.55) GPR119TBK1
SCHEMBL21191943 0.74 PDE10A (0.41) PDE10ARETGPR6
SCHEMBL21179336 0.74 PDE10A (0.41) PDE10ARETGPR6

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-2019141957-A1 N-PYRIMIDINYL HYDROXY PYRAZOLE DERIVATIVES AND USES THEREOF CADO BIOTECHNOLOGY IVS (DK) 2019-07-25 — — WO disclosed
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