SCHEMBL23735136

SCHEMBL23735136

Nc1ncnc2[nH]nc(-c3ccc(OCc4ccc(F)cc4)c(Cl)c3)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.42
PPARA Q07869 1/20 0.40
ERBB2 P04626 10/20 0.40
SRC P12931 2/20 0.40
PIK3CD O00329 1/20 0.40
ABL1 P00519 1/20 0.40
HCK P08631 1/20 0.40
KDR P35968 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
MTOR P42345 1/20 0.40
PIK3CG P48736 1/20 0.40
EPHB4 P54760 1/20 0.40
PRKDC P78527 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.39
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39

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
SCHEMBL20093445 0.89 EGFR (0.50) EGFRERBB2SRCPIK3CDABL1
SCHEMBL13293328 0.80 ERBB2 (0.56) EGFRERBB2
SCHEMBL19414295 0.80 SRC (0.47) EGFRSRCPIK3CDABL1HCK
SCHEMBL20093481 0.77 KMO (0.46) EGFRSRCPIK3CDABL1HCK
SCHEMBL17626717 0.76 PIK3CD (0.47) EGFRERBB2PIK3CDKDRPIK3CA
SCHEMBL17626654 0.74 NUDT14 (0.48) EGFRPIK3CDPIK3CAPIK3CBMTOR
SCHEMBL217790 0.73 ABL1 (0.49) EGFRSRCPIK3CDABL1HCK
SCHEMBL11214 0.73 DYRK1A (0.48) EGFRSRCPIK3CDABL1HCK
SCHEMBL11306 0.73 SRC (0.47) EGFRSRCPIK3CDABL1HCK
SCHEMBL16783578 0.72 PIK3CD (0.53) SRCPIK3CDABL1HCKKDR

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
EP-3398950-B1 NOVEL KINASE INHIBITOR AGAINST WILD-TYPE EGFR AND MUTATED EGFR PRECEDO PHARMACEUTICALS CO LTD (CN) 2021-08-11 EP disclosed