SCHEMBL19860086

SCHEMBL19860086

CN1CCCN(CC(=O)Nc2ccc3cnccc3c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.58
DYRK1A Q13627 4/20 0.58
PRMT3 O60678 6/20 0.53
TERT O14746 1/20 0.53
WNT1 P04628 2/20 0.52
IMPDH2 P12268 1/20 0.51
LMNA P02545 2/20 0.50
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TSHR P16473 1/20 0.50
GAA P10253 1/20 0.50
NOTUM Q6P988 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ATM Q13315 1/20 0.48
JAK2 O60674 1/20 0.48
ROCK2 O75116 1/20 0.48
JAK3 P52333 1/20 0.48
ROCK1 Q13464 1/20 0.48
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL19860084 0.96 IMPDH2 (0.55) GSK3BDYRK1APRMT3TERTWNT1
SCHEMBL19860085 0.90 TERT (0.64) GSK3BDYRK1APRMT3TERTIMPDH2
SCHEMBL19860074 0.89 TERT (0.63) PRMT3TERTIMPDH2LMNAALDH1A1
SCHEMBL19860073 0.84 IMPDH2 (0.53) PRMT3TERTIMPDH2LMNAALDH1A1
SCHEMBL14124408 0.83 TERT (0.53) GSK3BDYRK1APRMT3TERTIMPDH2
SCHEMBL2162496 0.82 ALDH1A1 (0.58) GSK3BDYRK1ALMNAALDH1A1SMN1; SMN2
SCHEMBL14124393 0.82 IMPDH2 (0.52) GSK3BDYRK1APRMT3TERTIMPDH2
SCHEMBL19860076 0.80 LMNA (0.61) IMPDH2LMNAALDH1A1SMN1; SMN2TSHR
SCHEMBL13621138 0.77 LMNA (0.61) LMNAALDH1A1SMN1; SMN2GAAMEN1
SCHEMBL19860072 0.76 SMN1; SMN2 (0.61) PRMT3TERTIMPDH2LMNAALDH1A1

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