SCHEMBL26464677

SCHEMBL26464677

CC(=O)NC(CCO)c1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
ROCK1 Q13464 2/20 0.47
PRKACA P17612 1/20 0.47
CDK8 P49336 1/20 0.47
GSK3A P49840 1/20 0.47
GSK3B P49841 1/20 0.47
PRKX P51817 1/20 0.47
PRKCQ Q04759 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
ITGB3 P05106 3/20 0.45
ITGAV P06756 3/20 0.45
ITGA2B P08514 2/20 0.44
ROCK2 O75116 5/20 0.43
KCNA5 P22460 1/20 0.43
THRB P10828 1/20 0.42
TBXAS1 P24557 1/20 0.42
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
EPHX2 P34913 2/20 0.41

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
SCHEMBL26464681 1.00 POLB (0.53) POLBROCK1PRKACACDK8GSK3A
SCHEMBL26464679 1.00 POLB (0.53) POLBROCK1PRKACACDK8GSK3A
SCHEMBL19323511 0.88 POLB (0.56) POLBROCK1PRKACAGSK3AGSK3B
SCHEMBL14393699 0.88 POLB (0.56) POLBROCK1PRKACAGSK3AGSK3B
SCHEMBL19324313 0.88 POLB (0.56) POLBROCK1PRKACAGSK3AGSK3B
SCHEMBL14277951 0.85 POLB (0.56) POLBITGB3ITGAVITGA2BKCNA5
SCHEMBL26620685 0.85 POLB (0.56) POLBITGB3ITGAVITGA2BKCNA5
SCHEMBL7010730 0.84 POLB (0.55) POLBROCK1PRKACAGSK3AGSK3B
SCHEMBL26464683 0.81 ROCK1 (0.55) ROCK1PRKACACDK8GSK3AGSK3B
SCHEMBL26464682 0.81 ROCK1 (0.55) ROCK1PRKACACDK8GSK3AGSK3B

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-2023072974-A1 TRICYCLIC HETEROCYCLES MERCK PATENT GMBH (DE) 2023-05-04 WO disclosed