SCHEMBL21789938

SCHEMBL21789938

NC(=O)c1cc(O)c2[nH]c(N)nc2c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.38
FABP6 P51161 2/20 0.37
ABL1 P00519 1/20 0.37
PTPN11 Q06124 2/20 0.36
LCK P06239 1/20 0.36
DHFR P00374 1/20 0.35
QTRT1 Q9BXR0 1/20 0.34
CHEK2 O96017 6/20 0.34
TYMS P04818 1/20 0.34
PKN1 Q16512 1/20 0.33
PKN2 Q16513 1/20 0.33
PNP P00491 1/20 0.32
CYP3A4 P08684 1/20 0.32
BLM P54132 1/20 0.32

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
SCHEMBL22136289 0.82 FABP6 (0.42) PLAUFABP6ABL1CHEK2TYMS
SCHEMBL21789936 0.78 PTPN11 (0.33) PTPN11LCKCHEK2CYP3A4
SCHEMBL1581142 0.72 ERCC1 (0.52) CHEK2
SCHEMBL30605006 0.71 PIM1 (0.38) PTPN11LCKBLM
SCHEMBL22121440 0.71 FABP6 (0.51) PLAUFABP6ABL1CHEK2PKN1
SCHEMBL12685844 0.68 ABL1 (0.68) PLAUFABP6ABL1CHEK2PKN1
SCHEMBL21708401 0.66 ALDH1A1 (0.48) PLAUQTRT1TYMS
SCHEMBL2139 0.65 KDM4E (0.59) PTPN11LCKBLM
Carbamic Acid SCHEMBL6315472 0.65 PLAU (0.39) PLAUFABP6ABL1QTRT1TYMS
SCHEMBL14395470 0.64 KDM4E (0.49) PNPCYP3A4

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-2020042995-A1 HIGHLY ACTIVE STING PROTEIN AGONIST COMPOUND 杭州阿诺生物医药科技有限公司 2020-03-05 WO disclosed