SCHEMBL21808041

SCHEMBL21808041

CCOC(=O)CCNC1(CC(=O)OCC)CN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
ALOX15 P16050 1/20 0.34
ALDH1A1 P00352 3/20 0.34
TSHR P16473 2/20 0.34
MEN1 O00255 1/20 0.34
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33
RECQL P46063 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CTSK P43235 1/20 0.33
ADORA1 P30542 1/20 0.33
LMNA P02545 2/20 0.33
POLB P06746 1/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NR1H2 P55055 1/20 0.32
EPHX2 P34913 1/20 0.32
TLR8 Q9NR97 1/20 0.31

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
SCHEMBL34473910 0.84 KMT2A (0.37) KMT2AL3MBTL1ALOX15ALDH1A1TSHR
SCHEMBL21886657 0.81 ALOX15 (0.37) KMT2AL3MBTL1ALOX15ALDH1A1TSHR
SCHEMBL426418 0.79 CNR2 (0.37) KMT2AL3MBTL1ALOX15ALDH1A1TSHR
SCHEMBL24906856 0.78 KMT2A (0.40) KMT2AL3MBTL1ALOX15ALDH1A1TSHR
SCHEMBL18497293 0.77 KMT2A (0.39) KMT2AL3MBTL1ALOX15ALDH1A1TSHR
SCHEMBL23326750 0.77 KMT2A (0.42) KMT2AL3MBTL1ALOX15ALDH1A1TSHR
SCHEMBL980372 0.77 ADORA1 (0.39) KMT2AL3MBTL1ALOX15ALDH1A1TSHR
SCHEMBL1909089 0.77 CNR2 (0.37) KMT2AL3MBTL1ALOX15ALDH1A1TSHR
SCHEMBL17628821 0.76 GAA (0.42) KMT2AL3MBTL1ALDH1A1TSHRLMNA
SCHEMBL2958409 0.75 USP2 (0.36) KMT2AL3MBTL1ALOX15ALDH1A1TSHR

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
EP-3853220-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS Suzhou Zanrong Pharma Limited (CN) 2021-07-28 EP disclosed
WO-2020057511-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS SUZHOU ZANRONG PHARMA LIMITED (CN) 2020-03-26 WO disclosed