SCHEMBL988281

SCHEMBL988281

CONc1cc(NC(=O)c2ccc(C(C)N)cc2)ccn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.61
ROCK1 Q13464 3/20 0.61
CIT O14578 1/20 0.48
PRKD3 O94806 1/20 0.48
MAP4K4 O95819 1/20 0.48
PRKCB P05771 1/20 0.48
PRKCA P17252 1/20 0.48
PRKACA P17612 1/20 0.48
CSNK2A2 P19784 1/20 0.48
MARK3 P27448 1/20 0.48
BMPR1A P36894 1/20 0.48
CSNK1A1 P48729 1/20 0.48
CLK1 P49759 1/20 0.48
GSK3A P49840 1/20 0.48
GSK3B P49841 1/20 0.48
CDK9 P50750 1/20 0.48
PRKCQ Q04759 1/20 0.48
PRKCD Q05655 1/20 0.48
PKN1 Q16512 1/20 0.48
PKN2 Q16513 1/20 0.48

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
SCHEMBL6845264 0.90 RAB9A (0.51) ROCK2ROCK1TYK2JAK2JAK1
SCHEMBL6845277 0.87 ROCK2 (0.44) ROCK2ROCK1TYK2JAK2JAK1
SCHEMBL987306 0.86 ROCK2 (0.65) ROCK2ROCK1CITPRKD3MAP4K4
SCHEMBL6559116 0.85 ROCK2 (0.64) ROCK2ROCK1CITPRKD3MAP4K4
SCHEMBL6557961 0.81 ROCK2 (0.68) ROCK2ROCK1CITPRKD3MAP4K4
SCHEMBL6845265 0.80 ROCK2 (0.46) ROCK2ROCK1ALDH1A1MEN1KMT2A
SCHEMBL1553353 0.76 ROCK2 (1.00) ROCK2ROCK1CITPRKD3MAP4K4
SCHEMBL1554113 0.76 ROCK2 (1.00) ROCK2ROCK1CITPRKD3MAP4K4
SCHEMBL1553349 0.76 ROCK2 (1.00) ROCK2ROCK1CITPRKD3MAP4K4
Hydrochloric Acid SCHEMBL6559174 0.75 ROCK2 (1.00) ROCK2ROCK1CITPRKD3MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7867999-B1 Hydroxyamino- and amino-substituted pyridine analogs for treating rho kinase-mediated diseases and conditions ALCON RESEARCH, LTD. (US) 2011-01-11 US disclosed
US-7867999-B1 Hydroxyamino- and amino-substituted pyridine analogs for treating rho kinase-mediated diseases and conditions ALCON RESEARCH, LTD. (US) 2011-01-11 US disclosed
US-7867999-B1 Hydroxyamino- and amino-substituted pyridine analogs for treating rho kinase-mediated diseases and conditions ALCON RESEARCH, LTD. (US) 2011-01-11 US disclosed