SCHEMBL29249176

SCHEMBL29249176

COc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3)cc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 19/20 1.00
ROCK2 O75116 14/20 1.00
PRKG1 Q13976 10/20 1.00
PRKACA P17612 9/20 1.00
GSK3A P49840 8/20 1.00
GSK3B P49841 8/20 1.00
PRKX P51817 7/20 1.00
RPS6KB1 P23443 7/20 1.00
PRKCD Q05655 7/20 1.00
PKN2 Q16513 7/20 1.00
CLK4 Q9HAZ1 7/20 1.00
SGK2 Q9HBY8 7/20 1.00
MAPK1 P28482 6/20 1.00
CDK2 P24941 6/20 1.00
AKT2 P31751 6/20 1.00
PRKG2 Q13237 6/20 1.00
HIPK4 Q8NE63 6/20 1.00
CYP3A4 P08684 5/20 1.00
RPS6KA5 O75582 5/20 1.00
PRKCG P05129 5/20 1.00

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
SCHEMBL3111937 1.00 ROCK1 (1.00) ROCK1ROCK2PRKG1PRKACAGSK3A
SCHEMBL3101783 1.00 ROCK1 (1.00) ROCK1ROCK2PRKG1PRKACAGSK3A
SCHEMBL3112639 0.91 ROCK1 (0.83) ROCK1ROCK2PRKG1PRKACAGSK3A
SCHEMBL3102020 0.88 ROCK1 (1.00) ROCK1ROCK2PRKG1PRKACAGSK3A
SCHEMBL3103676 0.88 ROCK1 (0.78) ROCK1ROCK2PRKG1PRKACAGSK3A
SCHEMBL3111226 0.87 ROCK1 (1.00) ROCK1ROCK2PRKG1PRKACAGSK3A
SCHEMBL3110719 0.87 ROCK1 (1.00) ROCK1ROCK2PRKG1PRKACAGSK3A
SCHEMBL3109512 0.87 ROCK1 (0.81) ROCK1ROCK2PRKG1PRKACAGSK3A
SCHEMBL3109507 0.87 ROCK2 (1.00) ROCK1ROCK2PRKG1PRKACAGSK3A
SCHEMBL3111964 0.86 ROCK1 (0.79) ROCK1ROCK2PRKG1PRKACAGSK3A

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
CN-118043447-A Method for preparing cell population containing pituitary tissue and cell population 住友化学株式会社 2024-05-14 CN disclosed