SCHEMBL23736265

SCHEMBL23736265

O=COCc1ccc(CC(=O)Nc2ccc3cnccc3c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 5/20 0.50
ROCK2 O75116 9/20 0.49
IMPDH2 P12268 3/20 0.48
PRMT3 O60678 3/20 0.48
ROCK1 Q13464 1/20 0.46
MYLK4 Q86YV6 1/20 0.46

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
SCHEMBL19860093 0.82 ROCK2 (0.61) NOTUMROCK2IMPDH2PRMT3ROCK1
SCHEMBL19860065 0.82 ROCK1 (0.61) NOTUMROCK2IMPDH2PRMT3ROCK1
SCHEMBL24735962 0.82 IMPDH2 (0.69) NOTUMROCK2IMPDH2PRMT3ROCK1
SCHEMBL20429487 0.81 ROCK2 (0.61) NOTUMROCK2IMPDH2PRMT3ROCK1
SCHEMBL21657779 0.80 ROCK2 (0.75) ROCK2ROCK1MYLK4
SCHEMBL18827640 0.80 ROCK2 (0.75) ROCK2ROCK1MYLK4
SCHEMBL18827638 0.80 ROCK2 (0.75) ROCK2ROCK1MYLK4
SCHEMBL24736559 0.80 IMPDH2 (0.51) NOTUMROCK2IMPDH2PRMT3ROCK1
SCHEMBL24736084 0.80 ROCK1 (0.61) NOTUMROCK2IMPDH2PRMT3ROCK1
SCHEMBL21679904 0.79 ROCK2 (0.71) NOTUMROCK2IMPDH2ROCK1MYLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023136942-A1 SYNTHETIC INTERMEDIATES AND IMPROVED PROCESSES FOR PREPARING ROCK INHIBITORS AERIE PHARMACEUTICALS, INC. (US) 2023-07-20 WO disclosed
EP-3376870-B1 PROCESS FOR THE PREPARATION OF KINASE INHIBITORS AND INTERMEDIATES THEREOF AERIE PHARMACEUTICALS INC (US) 2021-08-11 EP disclosed