SCHEMBL19860090

SCHEMBL19860090

O=C(CCc1ccccc1F)Nc1ccc2cnccc2c1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 8/20 0.57
IMPDH2 P12268 4/20 0.56
NOTUM Q6P988 5/20 0.55
PRMT3 O60678 2/20 0.54
ROCK1 Q13464 3/20 0.50

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
SCHEMBL19860119 0.88 ROCK2 (0.53) ROCK2IMPDH2NOTUMPRMT3ROCK1
SCHEMBL19860077 0.86 IMPDH2 (0.56) ROCK2IMPDH2NOTUMPRMT3ROCK1
SCHEMBL21430054 0.83 IMPDH2 (0.62) ROCK2IMPDH2NOTUMPRMT3ROCK1
SCHEMBL3566775 0.83 PRMT3 (0.72) ROCK2IMPDH2NOTUMPRMT3ROCK1
SCHEMBL2164137 0.81 PRMT3 (0.69) ROCK2IMPDH2NOTUMPRMT3ROCK1
SCHEMBL19860082 0.81 ROCK1 (0.60) ROCK2IMPDH2NOTUMPRMT3ROCK1
SCHEMBL14124306 0.79 PRMT3 (0.66) ROCK2IMPDH2NOTUMPRMT3ROCK1
SCHEMBL16634909 0.78 PRMT3 (0.61) IMPDH2NOTUMPRMT3
SCHEMBL19860095 0.76 IMPDH2 (0.62) ROCK2IMPDH2NOTUMPRMT3ROCK1
SCHEMBL14124394 0.76 IMPDH2 (0.53) ROCK2IMPDH2NOTUMPRMT3ROCK1

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
US-9890123-B2 6-aminoisoquinoline compounds AERIE PHARMACEUTICALS, INC. (US) 2018-02-13 US disclosed