SCHEMBL6674011

SCHEMBL6674011

O=[N+]([O-])c1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCOCCOCCOCCO

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.64
FBP1 P09467 2/20 0.55
ERBB2 P04626 4/20 0.55
AURKA O14965 1/20 0.55
INSR P06213 1/20 0.55
PDGFRB P09619 1/20 0.55
FLT4 P35916 1/20 0.55
KDR P35968 1/20 0.55
CLK1 P49759 1/20 0.55
EPHB4 P54760 1/20 0.55
TEK Q02763 1/20 0.55
AURKB Q96GD4 1/20 0.55
HDAC3 O15379 1/20 0.54
HDAC4 P56524 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC8 Q9BY41 1/20 0.54

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
SCHEMBL6987785 0.95 EGFR (0.70) EGFRFBP1ERBB2AURKAINSR
SCHEMBL17538553 0.92 EGFR (0.64) EGFRFBP1ERBB2AURKAINSR
SCHEMBL3575576 0.92 EGFR (0.64) EGFRFBP1ERBB2AURKAINSR
SCHEMBL6995758 0.91 EGFR (0.63) EGFRERBB2KDRHDAC3HDAC4
SCHEMBL17538564 0.90 EGFR (0.64) EGFRFBP1ERBB2AURKAINSR
SCHEMBL26082 0.90 EGFR (0.61) EGFRFBP1ERBB2AURKAINSR
SCHEMBL17538523 0.89 EGFR (0.58) EGFRFBP1ERBB2AURKAINSR
SCHEMBL642350 0.89 EGFR (0.64) EGFRFBP1ERBB2AURKAINSR
SCHEMBL4576907 0.88 FBP1 (0.60) EGFRFBP1ERBB2AURKAINSR
SCHEMBL15928079 0.88 FBP1 (0.60) EGFRFBP1ERBB2AURKAINSR

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-2004040003-A2 NUCLEOTIDE-BINDING PROTEIN-DIRECTED PROBES AND METHODS OF THEIR SYNTHESIS AND USE ACTIVX BIOSCIENCES, INC. (US) 2004-05-13 WO disclosed