SCHEMBL18123333

SCHEMBL18123333

O=C(c1ncccn1)N1CCN(I)CC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.50
CHRM2 P08172 1/20 0.46
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 5/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
SLC6A7 Q99884 2/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HRH4 Q9H3N8 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL968638 0.82 L3MBTL1 (0.50) L3MBTL1CHRM2KDM4EALDH1A1TSHR
SCHEMBL19960615 0.81 HRH4 (0.52) L3MBTL1CHRM2KDM4EKMT2AMEN1
SCHEMBL969811 0.80 HPGD (0.52) L3MBTL1CHRM2ALDH1A1TSHR
SCHEMBL18114678 0.77 SIGMAR1 (0.55) L3MBTL1CHRM2KDM4EALDH1A1HRH4
SCHEMBL6284952 0.77 HPGD (0.50) L3MBTL1CHRM2KDM4EALDH1A1TSHR
SCHEMBL17546313 0.74 ACHE (0.57) KDM4EALDH1A1KMT2A
SCHEMBL18123360 0.73 POLB (0.65) KMT2AMEN1
SCHEMBL14353580 0.72 CHRM2 (0.41) L3MBTL1CHRM2KDM4EALDH1A1KMT2A
SCHEMBL28474171 0.72 CHRM2 (0.42) L3MBTL1CHRM2KDM4EALDH1A1SLC6A7
SCHEMBL20084000 0.71 HPGD (0.66) L3MBTL1KDM4EALDH1A1KMT2AMEN1

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
WO-2016157074-A1 6-MORPHOLINYL-2-PYRAZOLYL-9H-PURINE DERIVATIVES AND THEIR USE AS PI3K INHIBITORS DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-10-06 WO disclosed