SCHEMBL24955834

SCHEMBL24955834

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

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
EIF2AK2 P19525 1/20 0.42
PDE10A Q9Y233 5/20 0.41
MTOR P42345 8/20 0.40
PIK3CA P42336 6/20 0.40
ALDH1A1 P00352 2/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ADORA3 P0DMS8 2/20 0.38
ADORA1 P30542 2/20 0.38

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
SCHEMBL24956795 0.88 PIK3CA (0.48) MTORPIK3CA
SCHEMBL24956758 0.87 PDE10A (0.38) MEN1KMT2AEIF2AK2PDE10ASMN1; SMN2
SCHEMBL30202159 0.86 PDE10A (0.37) EIF2AK2PDE10A
SCHEMBL30202075 0.86 PDE10A (0.37) EIF2AK2PDE10AMTORPIK3CASMN1; SMN2
SCHEMBL24955831 0.84 SRC (0.39) PDE10AMTORPIK3CAALDH1A1
SCHEMBL24955640 0.82 PIK3CA (0.47) PDE10AMTORPIK3CAALDH1A1SMN1; SMN2
SCHEMBL31106986 0.80 PDE10A (0.43) MEN1KMT2APDE10AALDH1A1SMN1; SMN2
SCHEMBL30202254 0.77 PIK3CA (0.40) MTORPIK3CA
SCHEMBL24956792 0.77 PDE10A (0.35) PDE10AMTORPIK3CA
SCHEMBL30202077 0.77 PDE10A (0.35) PDE10AMTORPIK3CA

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