SCHEMBL4565427

SCHEMBL4565427

COc1nc(Nc2ccc3c(n2)OC(c2ccccc2)CN(C)C3)ccc1-c1cn[nH]c1

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 20/20 0.39
ROCK1 Q13464 1/20 0.35

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
SCHEMBL3709760 1.00 ROCK2 (0.39) ROCK2ROCK1
SCHEMBL3706764 0.87 PSEN1 (0.36)
SCHEMBL3706768 0.87 PSEN1 (0.36)
SCHEMBL3707149 0.84 PSEN1 (0.37)
SCHEMBL3716564 0.83 BRD4 (0.34)
SCHEMBL3716567 0.83 BRD4 (0.34)
SCHEMBL3702628 0.83 IRAK4 (0.32)
SCHEMBL3708508 0.79 SCD (0.35) ROCK2
SCHEMBL3709120 0.78 PSEN1 (0.46)
SCHEMBL3709129 0.78 PSEN1 (0.46)

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-2012064269-A1 COMPOUNDS AND THEIR USE FOR TREATMENT OF Αβ-RELATED DISEASES ASTRAZENECA AB (SE) 2012-05-18 WO disclosed