SCHEMBL29577645

SCHEMBL29577645

Fc1ccc(Nc2ncnc3cc(OCCCl)c(OCCCl)cc23)cc1Cl

nearest known ligand 0.78

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 2/20 0.78
EGFR P00533 19/20 0.74
KDR P35968 2/20 0.73
AURKA O14965 1/20 0.73
ERBB2 P04626 1/20 0.73
INSR P06213 1/20 0.73
PDGFRB P09619 1/20 0.73
FLT4 P35916 1/20 0.73
CLK1 P49759 1/20 0.73
EPHB4 P54760 1/20 0.73
TEK Q02763 1/20 0.73
AURKB Q96GD4 1/20 0.73

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
SCHEMBL29577315 0.95 FBP1 (0.78) FBP1EGFRKDRAURKAERBB2
SCHEMBL28907231 0.95 EGFR (0.84) FBP1EGFRKDRAURKAERBB2
SCHEMBL5412843 0.95 EGFR (0.84) FBP1EGFRKDRAURKAERBB2
SCHEMBL15928080 0.91 FBP1 (0.66) FBP1EGFRKDRAURKAERBB2
SCHEMBL15217652 0.91 FBP1 (0.78) FBP1EGFRKDRAURKAERBB2
SCHEMBL30207668 0.91 EGFR (0.85) FBP1EGFRKDRAURKAERBB2
SCHEMBL28520911 0.91 EGFR (0.85) FBP1EGFRKDRAURKAERBB2
SCHEMBL14964773 0.91 EGFR (0.85) FBP1EGFRKDRAURKAERBB2
SCHEMBL31491085 0.91 EGFR (0.85) FBP1EGFRKDRAURKAERBB2
SCHEMBL15217656 0.90 EGFR (0.90) 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
CN-108069913-B Bis (morpholinylalkoxy) quinazoline derivative and application thereof in anti-tumor aspect 陕西师范大学 2022-03-01 CN disclosed