SCHEMBL7065518

SCHEMBL7065518

N#Cc1cnc2cc(OCCCN3CCOCC3)cc(OC3CCOCC3)c2c1Nc1cccc2ccoc12

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SRC P12931 16/20 0.49
KDR P35968 12/20 0.49
MAP2K1 Q02750 4/20 0.48
RAF1 P04049 2/20 0.48
ABL1 P00519 1/20 0.44
BCR P11274 1/20 0.44
EGFR P00533 1/20 0.43
LCK P06239 1/20 0.43
YES1 P07947 1/20 0.43
FGFR1 P11362 1/20 0.43
CSK P41240 1/20 0.43
AURKB Q96GD4 1/20 0.43
MAPK3 P27361 1/20 0.43
MAPK1 P28482 1/20 0.43

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 SCHEMBL7068675 0.99 SRC (0.49) SRCKDRMAP2K1RAF1ABL1
Hydrochloric Acid SCHEMBL7130370 0.85 SRC (0.68) SRCKDRMAP2K1RAF1ABL1
SCHEMBL7068322 0.83 SRC (0.49) SRCKDRMAP2K1RAF1ABL1
Hydrochloric Acid SCHEMBL7067904 0.82 SRC (0.48) SRCKDRMAP2K1RAF1ABL1
SCHEMBL7069410 0.81 SRC (0.54) SRCKDRMAP2K1ABL1BCR
SCHEMBL7068171 0.81 SRC (0.53) SRCKDRMAP2K1ABL1BCR
SCHEMBL5461933 0.79 SRC (0.53) SRCKDRMAP2K1RAF1EGFR
SCHEMBL5455231 0.79 SRC (0.56) SRCKDRMAP2K1RAF1ABL1
SCHEMBL5459201 0.79 SRC (0.51) SRCKDRMAP2K1ABL1BCR
SCHEMBL7066587 0.79 SRC (0.71) SRCKDRMAP2K1RAF1ABL1

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 claimed