SCHEMBL7066587

SCHEMBL7066587

COc1cc2c(Nc3cccc4ccoc34)c(C#N)cnc2cc1OCCCN1CCOCC1

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SRC P12931 12/20 0.71
KDR P35968 1/20 0.71
MAP2K1 Q02750 7/20 0.69
FYN P06241 1/20 0.69
ABL1 P00519 2/20 0.69
BCR P11274 2/20 0.69
RAF1 P04049 1/20 0.67
MAPK3 P27361 1/20 0.67
MAPK1 P28482 1/20 0.67
EGFR P00533 1/20 0.64
ERBB2 P04626 1/20 0.64

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
SCHEMBL7131283 0.93 SRC (0.68) SRCKDRMAP2K1FYNABL1
Hydrochloric Acid SCHEMBL7125231 0.93 SRC (0.67) SRCKDRMAP2K1FYNABL1
SCHEMBL7133745 0.91 SRC (0.59) SRCKDRMAP2K1FYNABL1
SCHEMBL7259167 0.91 SRC (0.65) SRCKDRMAP2K1FYNABL1
SCHEMBL7065304 0.90 SRC (0.73) SRCMAP2K1FYNABL1BCR
SCHEMBL7131329 0.89 IGF1R (0.58) SRCKDRMAP2K1FYNABL1
SCHEMBL7128828 0.89 SRC (0.56) SRCKDRMAP2K1FYNABL1
SCHEMBL7065351 0.87 SRC (0.60) SRCMAP2K1FYNABL1BCR
Hydrochloric Acid SCHEMBL7065284 0.85 SRC (0.58) SRCFYNABL1BCREGFR
Hydrochloric Acid SCHEMBL7066639 0.85 SRC (0.66) SRCMAP2K1ABL1BCREGFR

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