SCHEMBL25646448

SCHEMBL25646448

COc1cc2cc(-c3cnn(C)c3)ccc2cn1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 16/20 0.54
▸ DYRK1A Q13627 16/20 0.54
▸ WNT1 P04628 10/20 0.54
▸ MAPK8 P45983 1/20 0.53
▸ CLK2 P49760 1/20 0.51
▸ CLK3 P49761 1/20 0.51
▸ TTK P33981 2/20 0.51
▸ MAPT P10636 1/20 0.50

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
SCHEMBL25646429 0.81 GSK3B (0.57) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL14905436 0.80 FGFR2 (0.59) MAPT
SCHEMBL30381685 0.79 GSK3B (0.56) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL30481240 0.79 GSK3B (0.56) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL15507418 0.79 GSK3B (0.56) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL25603068 0.79 GSK3B (0.56) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL20945222 0.79 GSK3B (0.56) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL24921182 0.79 ACVR2A (0.59) TTKMAPT
SCHEMBL30519619 0.79 CYP2A6 (0.50) MAPT
SCHEMBL1423797 0.79 CYP2A6 (0.50) MAPT

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-2023107722-A1 COMPOUNDS FOR USE IN TREATING NEUROLOGICAL DISORDERS PROTHENA BIOSCIENCES LIMITED (IE) 2023-06-15 — — WO disclosed
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