SCHEMBL16649641

SCHEMBL16649641

CC(N)c1ncc(Cl)cn1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.41
LMNA P02545 2/20 0.35
TP53 P04637 1/20 0.35
HTT P42858 1/20 0.35
APLNR P35414 2/20 0.32
SLC6A3 Q01959 2/20 0.32
SLC6A2 P23975 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
NFKB1 P19838 1/20 0.31
PNMT P11086 1/20 0.31
SLC6A4 P31645 1/20 0.31
ALDH1A1 P00352 1/20 0.30
GLA P06280 1/20 0.30
SCN5A Q14524 2/20 0.30
SCN10A Q9Y5Y9 2/20 0.30

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
SCHEMBL14846893 1.00 ADRB2 (0.41) ADRB2LMNATP53HTTAPLNR
SCHEMBL11087333 0.79 APLNR (0.34) APLNRCYP1A2
SCHEMBL13943922 0.77 APLNR (0.54) APLNR
SCHEMBL14677407 0.77 APLNR (0.54) APLNR
SCHEMBL22481548 0.77 APLNR (0.33) APLNR
SCHEMBL23230046 0.75 CHRNA7 (0.33) ADRB2APLNR
SCHEMBL219272 0.75 APLNR (0.33) APLNR
SCHEMBL12067749 0.75 APLNR (0.33) APLNR
SCHEMBL219540 0.75 APLNR (0.33) APLNR
SCHEMBL20322898 0.75 KDM4E (0.35) HTTAPLNR

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
EP-2681215-B1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2015-04-22 EP claimed