SCHEMBL7065293

SCHEMBL7065293

CN1CCC(Oc2cccc3ncc(C#N)c(Nc4cccc5ccoc45)c23)CC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SRC P12931 8/20 0.46
ABL1 P00519 5/20 0.46
ABL2 P42684 5/20 0.46
EGFR P00533 8/20 0.43
ERBB2 P04626 4/20 0.43
FLT1 P17948 1/20 0.42
IKBKE Q14164 3/20 0.40
TBK1 Q9UHD2 3/20 0.40
RAF1 P04049 1/20 0.40
MAP2K1 Q02750 1/20 0.40

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
Hydrochloric Acid SCHEMBL7070735 0.99 SRC (0.45) SRCABL1ABL2EGFRERBB2
SCHEMBL7068322 0.89 SRC (0.49) SRCABL1ABL2EGFRERBB2
Hydrochloric Acid SCHEMBL7067904 0.88 SRC (0.48) SRCABL1ABL2EGFRERBB2
SCHEMBL7065518 0.78 SRC (0.49) SRCABL1EGFRRAF1MAP2K1
Hydrochloric Acid SCHEMBL7068675 0.77 SRC (0.49) SRCABL1EGFRRAF1MAP2K1
SCHEMBL7068505 0.76 SRC (0.50) SRCABL1ABL2EGFRERBB2
SCHEMBL7068339 0.75 EGFR (0.48) SRCABL1ABL2EGFRERBB2
SCHEMBL7254302 0.75 EGFR (0.45) SRCABL1ABL2EGFRERBB2
SCHEMBL7131283 0.71 SRC (0.68) SRCABL1ABL2EGFRERBB2
Hydrochloric Acid SCHEMBL7066964 0.71 SRC (0.70) SRCABL1ABL2EGFRERBB2

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-2003047583-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