SCHEMBL6229693

SCHEMBL6229693

CN(C)Cc1nc2cc(N)ccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.47
KDM4E B2RXH2 3/20 0.47
PKM P14618 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.42
RAD52 P43351 1/20 0.42
BCHE P06276 1/20 0.41
MAPKAPK2 P49137 1/20 0.41
RPS6KA3 P51812 1/20 0.41
CSNK2A1 P68400 1/20 0.41
PLK3 Q9H4B4 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL29733231 1.00 MAPT (0.47) MAPTKDM4EPKMTDP1MEN1
SCHEMBL29733134 0.84 MAPT (0.48) MAPTKDM4EPKMTDP1MEN1
SCHEMBL27203249 0.83 TDP1 (0.46) MAPTKDM4EPKMTDP1MEN1
SCHEMBL15450803 0.82 KMT2A (0.50) MAPTTDP1MEN1KMT2ARAB9A
SCHEMBL4926496 0.82 MAPT (0.56) MAPTKDM4EPKMTDP1MEN1
SCHEMBL7029404 0.81 DDAH1 (0.58) MAPTKDM4EPKMTDP1MEN1
SCHEMBL23793903 0.81 MAPT (0.55) MAPTKDM4EPKMTDP1MEN1
SCHEMBL10264201 0.79 PIM1 (0.47) MAPTKDM4ETDP1RAB9ASMN1; SMN2
SCHEMBL8807127 0.79 MAPT (0.55) MAPTKDM4EPKMTDP1MEN1
SCHEMBL10955133 0.78 BCHE (0.40) MAPTKDM4ETDP1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114853679-A Benzimidazole ENL protein inhibitor and preparation method and application thereof 清药同创(北京)药物研发中心有限公司 2022-08-05 CN disclosed
WO-2004092181-A9 HETEROCYCLIC MCHR1 ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2005-01-27 WO disclosed