SCHEMBL1835575

SCHEMBL1835575

CSc1ccc(CN2CCCC(n3ncc4cc(N)ccc43)C2)cc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 9/20 0.47
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
CCR2 P41597 1/20 0.41
ROCK1 Q13464 1/20 0.41
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.39
SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL3857673 0.89 ROCK2 (0.48) ROCK2CCR2ROCK1SIGMAR1
SCHEMBL3953507 0.86 ROCK2 (0.47) ROCK2KMT2ACCR2ROCK1SIGMAR1
SCHEMBL3858660 0.80 PDE2A (0.49) ROCK2CCR2ROCK1
SCHEMBL3858258 0.79 ROCK2 (0.51) ROCK2CCR2ROCK1SIGMAR1
SCHEMBL5639528 0.74 ROCK2 (0.46) ROCK2CCR2ROCK1MAPK1
SCHEMBL5642918 0.73 ROCK1 (0.44) ROCK2POLBCCR2ROCK1
SCHEMBL5640741 0.73 ROCK1 (0.51) ROCK2KMT2ACCR2ROCK1MEN1
SCHEMBL29200978 0.72 KDM4E (0.49) KMT2AROCK1MEN1
SCHEMBL3352334 0.71 HTR2A (0.45)
SCHEMBL14923489 0.71 CHEK1 (0.47) KMT2AROCK1MEN1

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
EP-2317849-A1 METHOD FOR TREATING PULMONARY DISEASES USING RHO KINASE INHIBITOR COMPOUNDS Inspire Pharmaceuticals, Inc. (US) 2011-05-11 EP claimed