SCHEMBL19860084

SCHEMBL19860084

CN1CCN(CC(=O)Nc2ccc3cnccc3c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 2/20 0.55
GSK3B P49841 3/20 0.55
DYRK1A Q13627 3/20 0.55
LMNA P02545 2/20 0.54
GAA P10253 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
ALDH1A1 P00352 1/20 0.54
TSHR P16473 1/20 0.54
PRMT3 O60678 6/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
ATM Q13315 1/20 0.52
NOTUM Q6P988 2/20 0.52
TERT O14746 1/20 0.51
JAK2 O60674 1/20 0.51
ROCK2 O75116 1/20 0.51
JAK3 P52333 1/20 0.51
ROCK1 Q13464 1/20 0.51
WNT1 P04628 1/20 0.50
EGFR P00533 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
SCHEMBL19860086 0.96 GSK3B (0.58) IMPDH2GSK3BDYRK1ALMNAGAA
SCHEMBL19860085 0.89 TERT (0.64) IMPDH2GSK3BDYRK1ALMNASMN1; SMN2
SCHEMBL19860073 0.88 IMPDH2 (0.53) IMPDH2LMNAALDH1A1TSHRPRMT3
SCHEMBL19860074 0.88 TERT (0.63) IMPDH2LMNASMN1; SMN2ALDH1A1TSHR
SCHEMBL14124393 0.86 IMPDH2 (0.52) IMPDH2GSK3BDYRK1ALMNAALDH1A1
SCHEMBL2162496 0.86 ALDH1A1 (0.58) GSK3BDYRK1ALMNAGAASMN1; SMN2
SCHEMBL19860076 0.84 LMNA (0.61) IMPDH2LMNAGAASMN1; SMN2ALDH1A1
SCHEMBL14124408 0.82 TERT (0.53) IMPDH2GSK3BDYRK1ALMNAALDH1A1
SCHEMBL13621138 0.81 LMNA (0.61) LMNAGAASMN1; SMN2ALDH1A1MEN1
SCHEMBL19860072 0.80 SMN1; SMN2 (0.61) IMPDH2LMNASMN1; SMN2ALDH1A1TSHR

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