SCHEMBL5743729

SCHEMBL5743729

COc1cc(OCC2CCCN2)c2c(Nc3ccc(F)c(Cl)c3)ncnc2c1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.68
SRC P12931 1/20 0.49
ERBB2 P04626 2/20 0.48
AURKA O14965 1/20 0.48
INSR P06213 1/20 0.48
FBP1 P09467 1/20 0.48
PDGFRB P09619 1/20 0.48
FLT4 P35916 1/20 0.48
KDR P35968 1/20 0.48
CLK1 P49759 1/20 0.48
EPHB4 P54760 1/20 0.48
TEK Q02763 1/20 0.48
AURKB Q96GD4 1/20 0.48

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
SCHEMBL3526216 1.00 EGFR (0.68) EGFRSRCERBB2AURKAINSR
SCHEMBL3524857 1.00 EGFR (0.68) EGFRSRCERBB2AURKAINSR
SCHEMBL3521731 0.93 EGFR (0.58) EGFRSRCFBP1
SCHEMBL3523317 0.88 EGFR (0.52) EGFRSRC
SCHEMBL5745419 0.86 EGFR (0.62) EGFRERBB2AURKAINSRFBP1
SCHEMBL3522698 0.86 EGFR (0.62) EGFRERBB2AURKAINSRFBP1
SCHEMBL3526179 0.86 EGFR (0.62) EGFRERBB2AURKAINSRFBP1
SCHEMBL3522474 0.86 EGFR (0.62) EGFRERBB2AURKAINSRFBP1
SCHEMBL5734606 0.86 EGFR (0.62) EGFRERBB2AURKAINSRFBP1
SCHEMBL3523730 0.86 EGFR (0.62) EGFRERBB2AURKAINSRFBP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1622620-A1 QUINAZOLINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER AstraZeneca AB (SE) 2006-02-08 EP disclosed
WO-2004096226-A1 QUINAZOLINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2004-11-11 WO disclosed