SCHEMBL19860082

SCHEMBL19860082

O=C(CCc1ccc(F)cc1)Nc1ccc2cnccc2c1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 5/20 0.60
ROCK2 O75116 5/20 0.59
PRMT3 O60678 2/20 0.56
NOTUM Q6P988 4/20 0.54
IMPDH2 P12268 3/20 0.52
MCHR1 Q99705 1/20 0.49
MYLK4 Q86YV6 1/20 0.49
LMNA P02545 1/20 0.49

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
SCHEMBL19860065 0.89 ROCK1 (0.61) ROCK1ROCK2PRMT3NOTUMIMPDH2
SCHEMBL2164137 0.88 PRMT3 (0.69) ROCK1ROCK2PRMT3NOTUMIMPDH2
SCHEMBL3566775 0.87 PRMT3 (0.72) ROCK1ROCK2PRMT3NOTUMIMPDH2
SCHEMBL19860083 0.84 PRMT3 (0.53) ROCK1ROCK2PRMT3NOTUMIMPDH2
SCHEMBL19860106 0.84 ROCK1 (0.57) ROCK1ROCK2PRMT3NOTUMIMPDH2
SCHEMBL14625937 0.84 ROCK2 (0.60) ROCK1ROCK2PRMT3NOTUMIMPDH2
SCHEMBL14124401 0.82 IMPDH2 (0.61) ROCK2PRMT3NOTUMIMPDH2LMNA
SCHEMBL14124382 0.81 JAK2 (0.57) ROCK1ROCK2PRMT3LMNA
SCHEMBL14124306 0.81 PRMT3 (0.66) ROCK1ROCK2PRMT3NOTUMIMPDH2
SCHEMBL19860090 0.81 ROCK2 (0.57) ROCK1ROCK2PRMT3NOTUMIMPDH2

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