SCHEMBL21285489

SCHEMBL21285489

CC(=O)[C@H](C)c1ccc(N2CCN(c3ccc4c(Br)cn(C5CC(N(C)C(=O)OC(C)(C)C)C5)c4n3)CC2)cc1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 1/20 0.33
▸ AURKA O14965 1/20 0.31
▸ PDPK1 O15530 1/20 0.31
▸ AURKB Q96GD4 1/20 0.31
▸ PIK3R1 P27986 1/20 0.31
▸ PIK3CA P42336 1/20 0.31

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
SCHEMBL22801944 0.89 MAPT (0.38) PDE10AAURKAPDPK1AURKBPIK3R1
SCHEMBL21285657 0.89 MAPT (0.38) PDE10AAURKAPDPK1AURKBPIK3R1
SCHEMBL21268784 0.86 GPR119 (0.40) PDE10A
SCHEMBL21268782 0.86 GPR119 (0.40) PDE10A
SCHEMBL22822764 0.86 PDE10A (0.36) PDE10AAURKAPDPK1AURKBPIK3R1
SCHEMBL22801998 0.86 PDE10A (0.36) PDE10AAURKAPDPK1AURKBPIK3R1
SCHEMBL22801999 0.86 PDE10A (0.36) PDE10AAURKAPDPK1AURKBPIK3R1
SCHEMBL22822718 0.79 PDE10A (0.34) PDE10AAURKAPDPK1AURKBPIK3R1
SCHEMBL21285505 0.79 PDE10A (0.38) PDE10AAURKAPDPK1AURKBPIK3R1
SCHEMBL21274050 0.77 PIK3R1 (0.35) PDE10AAURKAPDPK1AURKBPIK3R1

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-2019158731-A1 PHARMACEUTICAL 6,5 HETEROBICYCLIC RING DERIVATIVES UCB BIOPHARMA SPRL (BE) 2019-08-22 — — WO disclosed
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