SCHEMBL29639807

SCHEMBL29639807

Cc1cnc(NC(N)=O)nc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 8/20 0.42
JUN P05412 4/20 0.42
NFKB2 Q00653 4/20 0.42
RELA Q04206 4/20 0.42
SORT1 Q99523 1/20 0.42
KDM4E B2RXH2 1/20 0.40
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.37
ATF1 P18846 4/20 0.35
KIF11 P52732 1/20 0.35
CNR2 P34972 1/20 0.34
KIT P10721 1/20 0.34
FLT3 P36888 1/20 0.34
MAPK8 P45983 1/20 0.34
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
XPO1 O14980 1/20 0.33

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
SCHEMBL6933717 0.82 JUN (0.41) NFKB1JUNNFKB2RELASORT1
SCHEMBL29693635 0.70 KDM4E (0.37) NFKB1SORT1KDM4EMAPTATF1
SCHEMBL6936291 0.70 KDM4E (0.55) KDM4E
SCHEMBL11017429 0.70 KDM4E (0.37) NFKB1SORT1KDM4EMAPTATF1
SCHEMBL23328199 0.69 KDM4E (0.36) KDM4E
Formamide SCHEMBL21678847 0.68 KDM4E (0.37) KDM4E
Ammonia Solution, Strong SCHEMBL29084542 0.67 KDM4E (0.35) KDM4E
SCHEMBL8396932 0.67 KDM4E (0.70) NFKB1JUNNFKB2RELAKDM4E
SCHEMBL12203584 0.66 NFKB1 (0.44) NFKB1JUNNFKB2RELAATF1
SCHEMBL23631774 0.66 KIF11 (0.37) KDM4EGAAKIF11ALDH1A1KMT2A

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
CN-114502543-A Targeted protein compounds, pharmaceutical compositions and therapeutic applications thereof 拜欧斯瑞克斯公司 2022-05-13 CN disclosed