SCHEMBL24955545

SCHEMBL24955545

Cn1cc(-c2ccccc2)nc1C#Cc1nc2c(c(N3CCOCC3)n1)CCN(CC1CC1)C2

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 5/20 0.42
PIK3CA P42336 5/20 0.42
PDE10A Q9Y233 6/20 0.39
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MTOR P42345 3/20 0.36
CFTR P13569 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
BRS3 P32247 1/20 0.33
LRRK2 Q5S007 1/20 0.33

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
SCHEMBL30202081 0.84 PDE10A (0.36) PIK3CAPDE10AKDM4EALDH1A1HPGD
SCHEMBL24955777 0.84 PDE10A (0.36) PIK3CAPDE10AKDM4EALDH1A1HPGD
SCHEMBL30202402 0.80 HTR2C (0.45) PIK3R1PIK3CAPDE10AKDM4EALDH1A1
SCHEMBL24954159 0.80 HTR2C (0.45) PIK3R1PIK3CAPDE10AKDM4EALDH1A1
SCHEMBL24956799 0.79 MTOR (0.51) PIK3R1PIK3CAMTOR
SCHEMBL30202052 0.79 MTOR (0.51) PIK3R1PIK3CAMTOR
SCHEMBL24955640 0.72 PIK3CA (0.47) PIK3R1PIK3CAPDE10AKDM4EALDH1A1
SCHEMBL24955834 0.71 MEN1 (0.43) PIK3CAPDE10AALDH1A1MTOR
SCHEMBL24955831 0.71 SRC (0.39) PIK3CAPDE10AKDM4EALDH1A1HPGD
SCHEMBL24956795 0.71 PIK3CA (0.48) PIK3CAMTOR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4377313-A1 IMIDAZOLE ORGANIC COMPOUNDS AND THEIR USE AGAINST INFLAMMATORY BOWEL DISEASE BenevolentAI Cambridge Limited (GB) 2024-06-05 EP claimed
WO-2023007185-A1 IMIDAZOLE ORGANIC COMPOUNDS AND THEIR USE AGAINST INFLAMMATORY BOWEL DISEASE Benevolentai Cambridge Limited (GB) 2023-02-02 WO claimed
EP-4377313-A1 IMIDAZOLE ORGANIC COMPOUNDS AND THEIR USE AGAINST INFLAMMATORY BOWEL DISEASE BenevolentAI Cambridge Limited (GB) 2024-06-05 EP disclosed
WO-2023007185-A1 IMIDAZOLE ORGANIC COMPOUNDS AND THEIR USE AGAINST INFLAMMATORY BOWEL DISEASE Benevolentai Cambridge Limited (GB) 2023-02-02 WO disclosed
WO-2023007185-A1 IMIDAZOLE ORGANIC COMPOUNDS AND THEIR USE AGAINST INFLAMMATORY BOWEL DISEASE Benevolentai Cambridge Limited (GB) 2023-02-02 WO disclosed