SCHEMBL29501993

SCHEMBL29501993

Cn1c(=O)n(C2C3CCC2CC(=O)C3)c2nc(Cl)ncc21

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 19/20 0.38
PIK3CA P42336 3/20 0.36
TTK P33981 3/20 0.35
CSF1R P07333 2/20 0.35
KCNH2 Q12809 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
AURKA O14965 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
SCHEMBL23620422 1.00 PRKDC (0.38) PRKDCPIK3CATTKCSF1RKCNH2
SCHEMBL24963661 0.86 PRKDC (0.40) PRKDCPIK3CATTKCSF1RKCNH2
SCHEMBL29501959 0.85 PRKDC (0.43) PRKDCPIK3CATTKCSF1RKCNH2
SCHEMBL23620421 0.85 PRKDC (0.43) PRKDCPIK3CATTKCSF1RKCNH2
SCHEMBL28821218 0.84 PRKDC (0.43) PRKDCPIK3CATTKCSF1RKCNH2
SCHEMBL20299397 0.80 PRKDC (0.47) PRKDCPIK3CATTKCSF1RKCNH2
SCHEMBL29361882 0.80 PRKDC (0.47) PRKDCPIK3CATTKCSF1RKCNH2
SCHEMBL1780155 0.79 PRKDC (0.52) PRKDCPIK3CATTKCSF1RAURKA
SCHEMBL31465532 0.79 PRKDC (0.38) PRKDCPIK3CATTKCSF1RKCNH2
SCHEMBL24572369 0.79 PRKDC (0.37) PRKDCPIK3CATTKCSF1RKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114315834-B Imidazolone derivatives and their use in medicine 成都百裕制药股份有限公司 2024-01-05 CN disclosed
CN-113121538-B Furan derivative and application thereof in medicine 成都百裕制药股份有限公司 2023-04-21 CN disclosed
CN-114315834-A Imidazolidinone derivatives and their use in medicaments 成都百裕制药股份有限公司 2022-04-12 CN disclosed