SCHEMBL24955833

SCHEMBL24955833

Cn1cc(-c2cccnc2)nc1C#Cc1nc(N2CCOCC2)c2ncn(C)c2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 7/20 0.46
AURKA O14965 5/20 0.43
AURKC Q9UQB9 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HDAC1 Q13547 1/20 0.40
PDE10A Q9Y233 1/20 0.40
GBA1 P04062 1/20 0.39
PIK3CG P48736 4/20 0.39
MTOR P42345 2/20 0.39
PIK3CB P42338 2/20 0.38
HDAC6 Q9UBN7 1/20 0.38
PIK3R1 P27986 1/20 0.38
LRRK2 Q5S007 2/20 0.38
CYP2E1 P05181 1/20 0.37
CYP2A6 P11509 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2B6 P20813 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL24955640 0.90 PIK3CA (0.47) PIK3CAALDH1A1SMN1; SMN2PDE10AMTOR
SCHEMBL30202160 0.87 SYK (0.35) PIK3CAAURKAPDE10ACYP2E1CYP2A6
SCHEMBL24955686 0.77 PDE10A (0.38) PIK3CAPDE10ALRRK2
SCHEMBL30202390 0.77 PDE10A (0.38) PIK3CAPDE10ALRRK2
SCHEMBL30203054 0.77 CNR2 (0.38) PIK3CAPDE10A
SCHEMBL30202168 0.77 MTOR (0.49) PIK3CAPDE10AMTORPIK3CD
SCHEMBL30202248 0.77 MTOR (0.49) PIK3CAPDE10AMTORPIK3CD
SCHEMBL24955629 0.76 PIK3CA (0.39) PIK3CAALDH1A1SMN1; SMN2PDE10APIK3CG
SCHEMBL24955834 0.75 MEN1 (0.43) PIK3CAALDH1A1HTTSMN1; SMN2PDE10A
SCHEMBL31106989 0.74 MTOR (0.43) PIK3CAMTORPIK3CD

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