SCHEMBL29651278

SCHEMBL29651278

N#CC1CN(c2nc(Cl)ncc2Cl)c2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RPS6KA5 O75582 3/20 0.37
RPS6KA4 O75676 1/20 0.37
HCRTR2 O43614 2/20 0.34
MAPT P10636 1/20 0.33
HCRTR1 O43613 1/20 0.32
ROCK1 Q13464 1/20 0.32
HCAR1 Q9BXC0 1/20 0.31
PIN1 Q13526 2/20 0.31
MKNK1 Q9BUB5 3/20 0.31
MKNK2 Q9HBH9 3/20 0.31
CSNK1A1 P48729 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
ADRA1D P25100 1/20 0.30
ADRA1A P35348 1/20 0.30
ADRA1B P35368 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL28744003 1.00 RPS6KA5 (0.37) RPS6KA5RPS6KA4HCRTR2MAPTHCRTR1
SCHEMBL29650996 0.77 HCRTR2 (0.40) RPS6KA5RPS6KA4HCRTR2MAPTHCRTR1
SCHEMBL28743609 0.77 HCRTR2 (0.40) RPS6KA5RPS6KA4HCRTR2MAPTHCRTR1
SCHEMBL28744131 0.76 HCRTR2 (0.39) RPS6KA5RPS6KA4HCRTR2MAPTHCRTR1
SCHEMBL29651173 0.76 HCRTR2 (0.39) RPS6KA5RPS6KA4HCRTR2MAPTHCRTR1
SCHEMBL31378032 0.75 HCRTR2 (0.39) RPS6KA5RPS6KA4HCRTR2HCRTR1ROCK1
SCHEMBL28743599 0.75 HCRTR2 (0.39) RPS6KA5RPS6KA4HCRTR2HCRTR1ROCK1
SCHEMBL29651281 0.74 HCRTR2 (0.38) RPS6KA5RPS6KA4HCRTR2HCRTR1ROCK1
SCHEMBL29651283 0.74 HCRTR2 (0.38) RPS6KA5RPS6KA4HCRTR2HCRTR1ROCK1
SCHEMBL29650901 0.71 HCRTR2 (0.38) RPS6KA5RPS6KA4HCRTR2HCRTR1ROCK1

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-114555585-B HPK1 inhibitors and uses thereof 锐格药业公司 2025-02-11 CN disclosed
CN-114555585-A HPK1 inhibitors and uses thereof 上海齐鲁锐格医药研发有限公司 2022-05-27 CN disclosed
EP-3994133-A1 HPK1 INHIBITORS AND USES THEREOF Qilu Regor Therapeutics Inc. (CN) 2022-05-11 EP disclosed