SCHEMBL24955831

SCHEMBL24955831

Cn1cc(-c2ccccc2)nc1C#Cc1nc(N2CCOCC2)c2cnn(CC3CNC3)c2n1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SRC P12931 4/20 0.39
ABL1 P00519 2/20 0.39
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
PDE10A Q9Y233 4/20 0.36
MTOR P42345 9/20 0.36
PIK3CA P42336 7/20 0.36
PIK3CG P48736 2/20 0.36
MERTK Q12866 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL24955832 0.89 PDE10A (0.32) PDE10A
SCHEMBL24955834 0.84 MEN1 (0.43) PDE10AMTORPIK3CAALDH1A1
SCHEMBL24956790 0.84 PIK3CA (0.42) SRCABL1PDE10AMTORPIK3CA
SCHEMBL30202391 0.82 PDE10A (0.35) PDE10AMTORPIK3CAMERTKALDH1A1
SCHEMBL24956795 0.81 PIK3CA (0.48) MTORPIK3CAPIK3CG
SCHEMBL24956793 0.78 MTOR (0.41) PDE10AMTORPIK3CAALDH1A1
SCHEMBL24955640 0.74 PIK3CA (0.47) PDE10AMTORPIK3CAKDM4EALDH1A1
SCHEMBL30202075 0.73 PDE10A (0.37) PDE10AMTORPIK3CA
SCHEMBL24956792 0.73 PDE10A (0.35) PDE10AMTORPIK3CAPIK3CG
SCHEMBL30202077 0.73 PDE10A (0.35) PDE10AMTORPIK3CAPIK3CG

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-2023007185-A1 IMIDAZOLE ORGANIC COMPOUNDS AND THEIR USE AGAINST INFLAMMATORY BOWEL DISEASE Benevolentai Cambridge Limited (GB) 2023-02-02 WO disclosed