SCHEMBL13764113

SCHEMBL13764113

NC(C(=O)Nc1ccc2cnccc2c1)c1cccs1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 19/20 0.67
ROCK1 Q13464 3/20 0.67
IMPDH2 P12268 1/20 0.52

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
SCHEMBL1105177 0.95 ROCK2 (0.61) ROCK2ROCK1IMPDH2
SCHEMBL1105178 0.95 ROCK2 (0.61) ROCK2ROCK1IMPDH2
SCHEMBL14562634 0.95 ROCK2 (0.61) ROCK2ROCK1IMPDH2
SCHEMBL1105162 0.86 ROCK1 (0.52) ROCK2ROCK1IMPDH2
SCHEMBL25561859 0.81 ROCK2 (1.00) ROCK2ROCK1IMPDH2
SCHEMBL1105146 0.81 ROCK2 (1.00) ROCK2ROCK1IMPDH2
SCHEMBL13764336 0.81 ROCK2 (1.00) ROCK2ROCK1IMPDH2
SCHEMBL4519745 0.80 AAK1 (0.53) ROCK2ROCK1
SCHEMBL1105023 0.80 ROCK2 (0.48) ROCK2ROCK1IMPDH2
Hydrochloric Acid SCHEMBL1096293 0.80 ROCK2 (0.97) ROCK2ROCK1IMPDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2546239-B1 6-AMINO ISOQUINOLINS COMPOUNDS AND METHODS FOR MAKING THE SAME AERIE PHARMACEUTICALS INC (US) 2015-04-08 EP disclosed
US-8871757-B2 6-and 7-amino isoquinoline compounds and methods for making and using the same AERIE PHARMACEUTICALS, INC. (US) 2014-10-28 US disclosed
EP-2546239-A1 6-AMINO ISOQUINOLINS COMPOUNDS AND METHODS FOR MAKING THE SAME AERIE PHARMACEUTICALS, INC. (US) 2013-01-16 EP disclosed
EP-2546238-A1 6-AMINO ISOQUINOLINS COMPOUNDS AND METHODS FOR MAKING THE SAME AERIE PHARMACEUTICALS, INC. (US) 2013-01-16 EP disclosed
WO-2009091898-A2 6-AND 7-AMINO ISOQUINOLINE COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME AERIE PHARMACEUTICALS, INC. (US) 2009-07-23 WO disclosed