SCHEMBL6677018

SCHEMBL6677018

NCCOCCOCCOCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1N

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 2/20 0.62
EGFR P00533 18/20 0.61
KDR P35968 2/20 0.61
AURKA O14965 1/20 0.61
ERBB2 P04626 1/20 0.61
INSR P06213 1/20 0.61
PDGFRB P09619 1/20 0.61
FLT4 P35916 1/20 0.61
CLK1 P49759 1/20 0.61
EPHB4 P54760 1/20 0.61
TEK Q02763 1/20 0.61
AURKB Q96GD4 1/20 0.61
GRM1 Q13255 1/20 0.57

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
SCHEMBL17538554 0.93 FBP1 (0.67) FBP1EGFRKDRAURKAERBB2
SCHEMBL17538494 0.91 FBP1 (0.70) FBP1EGFRKDRAURKAERBB2
SCHEMBL24377 0.91 EGFR (0.66) FBP1EGFRKDRAURKAERBB2
SCHEMBL17538524 0.90 FBP1 (0.59) FBP1EGFRKDRAURKAERBB2
SCHEMBL6994526 0.89 EGFR (0.69) FBP1EGFRKDRAURKAERBB2
SCHEMBL15928219 0.89 FBP1 (0.66) FBP1EGFRKDRAURKAERBB2
SCHEMBL26350 0.89 FBP1 (0.72) FBP1EGFRKDRAURKAERBB2
SCHEMBL15928080 0.89 FBP1 (0.66) FBP1EGFRKDRAURKAERBB2
SCHEMBL16295327 0.89 EGFR (0.78) FBP1EGFRKDRAURKAERBB2
SCHEMBL26593 0.87 FBP1 (0.71) FBP1EGFRKDRAURKAERBB2

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