SCHEMBL16667243

SCHEMBL16667243

Cc1c(OC(=O)O)[se]c2ncnc(Nc3ccc(F)c(Cl)c3)c12

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.47
DYRK1A Q13627 2/20 0.45
ERBB2 P04626 4/20 0.45
KDR P35968 3/20 0.44
AURKA O14965 2/20 0.44
FBP1 P09467 2/20 0.44
INSR P06213 1/20 0.44
PDGFRB P09619 1/20 0.44
FLT4 P35916 1/20 0.44
CLK1 P49759 1/20 0.44
EPHB4 P54760 1/20 0.44
TEK Q02763 1/20 0.44
AURKB Q96GD4 1/20 0.44
RPS6KB1 P23443 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ERBB4 Q15303 1/20 0.43

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
SCHEMBL16667301 0.91 DYRK1A (0.48) EGFRDYRK1AERBB2KDRAURKA
SCHEMBL9901153 0.85 EGFR (0.50) EGFRDYRK1AERBB2KDRAURKA
SCHEMBL9901558 0.82 DYRK1A (0.56) EGFRDYRK1AERBB2KDRAURKA
SCHEMBL15348704 0.74 EGFR (0.51) EGFRERBB2KDRAURKAFBP1
SCHEMBL9902301 0.70 EGFR (0.57) EGFRERBB2KDRAURKAFBP1
SCHEMBL16667191 0.70 EGFR (0.48) EGFRDYRK1AERBB2KDRAURKA
SCHEMBL16667189 0.70 AURKA (0.48) EGFRDYRK1AERBB2KDRAURKA
SCHEMBL9905219 0.70 EGFR (0.61) EGFRERBB2KDRAURKAFBP1
SCHEMBL9905105 0.69 EGFR (0.49) EGFRDYRK1AERBB2KDRAURKA
SCHEMBL9902101 0.68 EGFR (0.48) EGFRERBB2KDRAURKAFBP1

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-2648509-B1 SUBSTITUTED 4-(ARYLAMINO) SELENOPHENOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF KASINA LAILA INNOVA PHARMACEUTICALS PRIVATE LTD (IN) 2015-04-29 EP claimed