SCHEMBL21451958

SCHEMBL21451958

Cc1nc2c(s1)CN(CC#N)CC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 2/20 0.47
RECQL P46063 1/20 0.47
GRM5 P41594 6/20 0.41
PDE10A Q9Y233 1/20 0.39
HRH3 Q9Y5N1 2/20 0.36
GAA P10253 4/20 0.35
PDCD1 Q15116 2/20 0.35
CD274 Q9NZQ7 2/20 0.35
ALDH1A1 P00352 4/20 0.34
MAPT P10636 4/20 0.34
KMT2A Q03164 3/20 0.34
KDM4E B2RXH2 3/20 0.34
MAPK1 P28482 2/20 0.34
HPGD P15428 2/20 0.34
MEN1 O00255 1/20 0.34
ALOX15 P16050 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
PTK2B Q14289 1/20 0.34
ESR2 Q92731 1/20 0.34

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
SCHEMBL12680942 0.78 RAD52 (0.53) RAD52RECQLGRM5PDE10AHRH3
SCHEMBL12680940 0.77 GRM5 (0.57) RAD52RECQLGRM5PDE10AHRH3
SCHEMBL17088067 0.77 RAD52 (0.48) RAD52RECQLGRM5PDE10AHRH3
SCHEMBL16286091 0.77 RAD52 (0.48) RAD52RECQLGRM5PDE10AHRH3
SCHEMBL16609856 0.76 RAD52 (0.47) RAD52RECQLGRM5PDE10AHRH3
SCHEMBL16609857 0.76 RAD52 (0.47) RAD52RECQLGRM5PDE10AHRH3
SCHEMBL15918533 0.76 RAD52 (0.47) RAD52RECQLGRM5PDE10AHRH3
SCHEMBL17088068 0.76 RAD52 (0.47) RAD52RECQLGRM5PDE10AHRH3
SCHEMBL21451962 0.75 RAD52 (0.46) RAD52RECQLGRM5PDE10AGAA
Potassium Ion SCHEMBL16583490 0.75 RAD52 (0.46) RAD52RECQLGRM5PDE10AHRH3

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