SCHEMBL29043124

SCHEMBL29043124

O=C(COP(=O)(O)O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.73
ERBB2 P04626 4/20 0.69
CIT O14578 1/20 0.69
GAK O14976 1/20 0.69
EPHB6 O15197 1/20 0.69
RIPK2 O43353 1/20 0.69
STK10 O94804 1/20 0.69
ABL1 P00519 1/20 0.69
LCK P06239 1/20 0.69
LYN P07948 1/20 0.69
RET P07949 1/20 0.69
CHRM2 P08172 1/20 0.69
MET P08581 1/20 0.69
HCK P08631 1/20 0.69
SRC P12931 1/20 0.69
PHKG2 P15735 1/20 0.69
ADRA2B P18089 1/20 0.69
ERBB3 P21860 1/20 0.69
AXL P30530 1/20 0.69
CCKAR P32238 1/20 0.69

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
SCHEMBL5425627 0.91 EGFR (0.75) EGFRERBB2CITGAKEPHB6
SCHEMBL4060171 0.91 EGFR (0.75) EGFRERBB2CITGAKEPHB6
SCHEMBL29043127 0.91 EGFR (0.69) EGFRERBB2CITGAKEPHB6
SCHEMBL29838794 0.88 EGFR (0.75) EGFRERBB2CITGAKEPHB6
SCHEMBL2072074 0.88 EGFR (0.75) EGFRERBB2CITGAKEPHB6
SCHEMBL436188 0.88 EGFR (0.75) EGFRERBB2CITGAKEPHB6
SCHEMBL29779503 0.88 EGFR (0.75) EGFRERBB2CITGAKEPHB6
SCHEMBL436189 0.88 EGFR (0.75) EGFRERBB2CITGAKEPHB6
SCHEMBL28415394 0.87 EGFR (0.82) EGFRERBB2CITGAKEPHB6
SCHEMBL28415396 0.87 EGFR (0.82) EGFRERBB2CITGAKEPHB6

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-116514870-A Monophosphate and preparation method and application thereof 北京民康百草医药科技有限公司 2023-08-01 CN disclosed