SCHEMBL22462003

SCHEMBL22462003

CNn1cnc2c(=O)[nH]c(NC(=O)C(C)C)nc21

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
TSHR P16473 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NOS1 P29475 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
GAA P10253 1/20 0.36
FGFR1 P11362 1/20 0.35
FGFR4 P22455 1/20 0.35
TK1 P04183 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PAX3 P23760 1/20 0.34
FOXO1 Q12778 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
SCHEMBL10001689 0.85 KDM4E (0.48) KDM4ETSHRMEN1KMT2ANOS1
SCHEMBL22765060 0.85 KDM4E (0.48) KDM4ETSHRMEN1KMT2ANOS1
SCHEMBL15763710 0.84 CDK5 (0.48) KDM4ETSHRMEN1KMT2ANOS1
SCHEMBL22091499 0.82 KDM4E (0.47) KDM4ETSHRMEN1KMT2ANOS1
SCHEMBL18349588 0.81 KDM4E (0.46) KDM4ETSHRMEN1KMT2ANOS1
SCHEMBL22571148 0.81 MEN1 (0.52) KDM4ETSHRMEN1KMT2ANOS1
SCHEMBL3457921 0.80 MEN1 (0.50) KDM4ETSHRMEN1KMT2AFGFR1
SCHEMBL22571139 0.80 KDM4E (0.47) KDM4ETSHRMEN1KMT2ANOS1
SCHEMBL22083756 0.80 KDM4E (0.47) KDM4ETSHRMEN1KMT2ANOS1
Hydrochloric Acid SCHEMBL31087990 0.78 MEN1 (0.48) KDM4ETSHRMEN1KMT2AFGFR1

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-2020191252-A1 TECHNOLOGIES USEFUL FOR OLIGONUCLEOTIDE PREPARATION WAVE LIFE SCIENCES LTD. (SG) 2020-09-24 WO disclosed