SCHEMBL26067016

SCHEMBL26067016

CC(C)c1cn(CC2CC2)nc1Cl

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 1/20 0.40
▸ MAPT P10636 1/20 0.36
▸ POLB P06746 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ GRM2 Q14416 2/20 0.32
▸ CRHR1 P34998 2/20 0.32
▸ KDM5B Q9UGL1 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ PDE10A Q9Y233 1/20 0.30
▸ MAT2A P31153 1/20 0.30

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
SCHEMBL25581842 0.80 DHODH (0.34) LRRK2MAPTKDM5BNPC1RAB9A
SCHEMBL20086560 0.77 LMNA (0.34) POLBNPC1RAB9A
SCHEMBL26482528 0.75 S1PR2 (0.37) LRRK2MAPTCRHR1
SCHEMBL25107870 0.74 LRRK2 (0.33) LRRK2
SCHEMBL21087670 0.74 LRRK2 (0.40) LRRK2POLBKMT2AGRM2CRHR1
SCHEMBL24828399 0.74 LRRK2 (0.40) LRRK2POLBKMT2AGRM2CRHR1
SCHEMBL24908121 0.73 LRRK2 (0.40) LRRK2KDM5B
SCHEMBL26051306 0.73 LRRK2 (0.40) LRRK2POLBKMT2ACRHR1NPC1
SCHEMBL24828369 0.73 LRRK2 (0.33) LRRK2
SCHEMBL24828363 0.73 LRRK2 (0.33) LRRK2

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-2023164233-A1 (4-BENZO[D]OXAZOL-2-YL)-6,7-DIHYDRO-1H-IMIDAZO[4,5-C]PYRIDINE-5(4H)-YL)METHANONE DERIVATIVES AS MUTANT PAH STABILIZERS FOR THE TREATMENT OF PHENYLKETONURIA AGIOS PHARMACEUTICALS, INC. (US) 2023-08-31 — — WO disclosed
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