SCHEMBL7068176

SCHEMBL7068176

COc1cc(OC2CCN(C)CC2)c2c(Nc3cc(Cl)cc4occc34)c(C#N)cnc2c1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SRC P12931 16/20 0.52
ABL1 P00519 10/20 0.52
ABL2 P42684 10/20 0.52
EGFR P00533 2/20 0.46
KDR P35968 3/20 0.45
FLT1 P17948 1/20 0.44
ERBB2 P04626 1/20 0.44
RAF1 P04049 1/20 0.42
MAP2K1 Q02750 1/20 0.42

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
SCHEMBL7067557 0.88 SRC (0.50) SRCABL1ABL2EGFRKDR
SCHEMBL7068724 0.85 SRC (0.51) SRCABL1ABL2EGFRKDR
SCHEMBL7068171 0.85 SRC (0.53) SRCABL1ABL2EGFRKDR
SCHEMBL7068322 0.83 SRC (0.49) SRCABL1ABL2EGFRKDR
SCHEMBL7065783 0.83 SRC (0.48) SRCABL1ABL2EGFRKDR
SCHEMBL7068505 0.82 SRC (0.50) SRCABL1ABL2EGFRKDR
Hydrochloric Acid SCHEMBL7067904 0.82 SRC (0.48) SRCABL1ABL2EGFRKDR
Hydrochloric Acid SCHEMBL7066964 0.78 SRC (0.70) SRCABL1ABL2EGFRKDR
SCHEMBL3673893 0.78 SRC (0.72) SRCABL1ABL2EGFRKDR
SCHEMBL3673891 0.78 SRC (0.54) SRCABL1ABL2EGFRKDR

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
WO-2003047584-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2003-06-12 WO disclosed
WO-2003047585-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING BENZOFURANYL SUBSTITUTED 3-CYANOQUINOLINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF SOLID TUMOURS ASTRAZENECA AB (SE) 2003-06-12 WO disclosed