SCHEMBL19860110

SCHEMBL19860110

O=C(CNCc1cccnc1)Nc1ccc2cnccc2c1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 4/20 0.59
PRMT3 O60678 9/20 0.54
NOTUM Q6P988 4/20 0.52
ROCK1 Q13464 2/20 0.52
IKBKB O14920 1/20 0.52
JAK2 O60674 1/20 0.52
ROCK2 O75116 1/20 0.52
JAK3 P52333 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.49
L3MBTL1 Q9Y468 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
SCHEMBL2162616 0.92 IMPDH2 (0.70) IMPDH2PRMT3NOTUMROCK1ROCK2
SCHEMBL19860124 0.89 IMPDH2 (0.59) IMPDH2PRMT3NOTUM
SCHEMBL14124375 0.86 ROCK1 (0.59) IMPDH2PRMT3NOTUMROCK1ROCK2
SCHEMBL2163047 0.86 NOTUM (0.65) IMPDH2PRMT3NOTUMROCK1ROCK2
SCHEMBL19860106 0.85 ROCK1 (0.57) IMPDH2PRMT3NOTUMROCK1ROCK2
SCHEMBL2162395 0.85 ROCK2 (0.61) IMPDH2PRMT3NOTUMROCK1ROCK2
SCHEMBL19860107 0.84 ROCK2 (0.57) IMPDH2PRMT3NOTUMROCK1ROCK2
SCHEMBL19860040 0.83 PRMT3 (0.53) IMPDH2PRMT3NOTUMROCK1ROCK2
SCHEMBL14124373 0.83 NOTUM (0.55) IMPDH2PRMT3NOTUMROCK2
SCHEMBL19860042 0.83 MEN1 (0.60) IMPDH2PRMT3NOTUMROCK2L3MBTL1

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