SCHEMBL8298907

SCHEMBL8298907

CN1CCN(CCCNS(=O)(=O)c2cccc(N)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 11/20 0.56
L3MBTL1 Q9Y468 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
PRMT1 Q99873 1/20 0.52
ALDH1A1 P00352 1/20 0.52
MBTD1 Q05BQ5 1/20 0.51
HTR2A P28223 3/20 0.50
HTR6 P50406 3/20 0.50
POLB P06746 1/20 0.50
HTR1A P08908 1/20 0.50
HTR2C P28335 1/20 0.50
DRD2 P14416 2/20 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
SCHEMBL17374111 0.92 PRMT1 (0.54) HTR7L3MBTL1PRMT1ALDH1A1HTR2A
SCHEMBL4616665 0.84 SFRP1 (0.65) HTR7L3MBTL1TDP1ALDH1A1MBTD1
SCHEMBL2850490 0.82 L3MBTL1 (0.58) L3MBTL1PRMT1MBTD1
SCHEMBL14419669 0.81 CYP3A4 (0.58) HTR7L3MBTL1ALDH1A1MBTD1POLB
SCHEMBL8301568 0.81 ALDH1A1 (0.78) HTR7L3MBTL1ALDH1A1MBTD1HTR6
SCHEMBL2854997 0.81 SIGMAR1 (0.59) L3MBTL1PRMT1
SCHEMBL1361813 0.79 ALDH1A1 (0.64) TDP1PRMT1ALDH1A1POLB
SCHEMBL922624 0.78 PRMT1 (0.62) PRMT1ALDH1A1POLB
SCHEMBL12672472 0.78 HTR7 (0.83) HTR7L3MBTL1ALDH1A1MBTD1HTR2A
SCHEMBL1565027 0.78 PRMT1 (0.73) TDP1PRMT1ALDH1A1HTR6POLB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7449465-B2 Triazolopyrimidine derivatives as glycogen synthase kinase 3 inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2008-11-11 US disclosed
US-7449465-B2 Triazolopyrimidine derivatives as glycogen synthase kinase 3 inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2008-11-11 US disclosed
EP-1781659-B1 TRIAZOLOPYRIMIDINE DERIVATIVES AS GLYCOGEN SYNTHASE KINASE 3 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2008-11-05 EP disclosed
WO-2005012304-A2 TRIAZOLOPYRIMIDINE DERIVATIVES AS GLYCOGEN SYNTHASE KINASE 3 INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-10 WO disclosed