SCHEMBL21451975

SCHEMBL21451975

Cc1nc2c(s1)CN(CC(=O)N(C)C)CC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 4/20 0.48
TLR8 Q9NR97 4/20 0.48
TLR7 Q9NYK1 4/20 0.48
DRD2 P14416 1/20 0.46
RAD52 P43351 1/20 0.43
RECQL P46063 1/20 0.43
AOC3 Q16853 1/20 0.41
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 3/20 0.40
GAA P10253 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
DPP4 P27487 2/20 0.38
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
POLB P06746 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL21451962 0.85 RAD52 (0.46) RAD52RECQLALDH1A1KMT2AGAA
SCHEMBL16286089 0.83 RAD52 (0.48) TLR9TLR8TLR7RAD52RECQL
SCHEMBL21452348 0.83 DRD2 (0.44) TLR9TLR8TLR7DRD2RAD52
SCHEMBL16286092 0.83 RAD52 (0.45) RAD52RECQLAOC3ALDH1A1KMT2A
SCHEMBL21451963 0.81 RAD52 (0.43) TLR9TLR8TLR7RAD52RECQL
SCHEMBL6369558 0.76 RAD52 (0.69) RAD52RECQLALDH1A1KMT2AGAA
SCHEMBL14907152 0.76 DPP4 (0.44) AOC3DPP4DPP8DPP9DPP7
SCHEMBL16286091 0.76 RAD52 (0.48) DRD2RAD52RECQLALDH1A1KMT2A
SCHEMBL21451967 0.75 GRM5 (0.45) RAD52RECQLALDH1A1KMT2AGAA
SCHEMBL12680942 0.74 RAD52 (0.53) DRD2RAD52RECQLALDH1A1KMT2A

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-2019192506-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF BETTA PHARMACEUTICALS CO., LTD (CN) 2019-10-10 WO disclosed