SCHEMBL8710100

SCHEMBL8710100

COc1cc2c(Nc3cc(O)c(C)cc3F)ncnc2cc1OCc1cc(C)nc(Cl)c1.COc1cc2c(Oc3ccc(Cl)cc3F)ncnc2cc1OCc1ccncc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDR P35968 18/20 0.63
FLT1 P17948 13/20 0.63
FGFR1 P11362 9/20 0.55
RET P07949 5/20 0.55
KIF5B P33176 4/20 0.55
FLT4 P35916 6/20 0.49
EGFR P00533 3/20 0.49
EPHB2 P29323 1/20 0.49
ERBB2 P04626 1/20 0.48
EPHA2 P29317 1/20 0.48
FGFR2 P21802 2/20 0.47
FGFR4 P22455 2/20 0.47
FGFR3 P22607 2/20 0.47
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
RAF1 P04049 1/20 0.45
BRAF P15056 1/20 0.45

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
SCHEMBL7455017 0.87 KDR (0.72) KDRFLT1FGFR1RETKIF5B
Hydrochloric Acid SCHEMBL7460030 0.86 KDR (0.71) KDRFLT1FGFR1RETKIF5B
SCHEMBL7456312 0.84 KDR (0.78) KDRFLT1FGFR1RETKIF5B
Hydrochloric Acid SCHEMBL7452814 0.83 KDR (0.76) KDRFLT1FGFR1RETKIF5B
SCHEMBL7455973 0.81 KDR (0.72) KDRFLT1FGFR1RETKIF5B
SCHEMBL8707782 0.81 KDR (0.58) KDRFLT1FGFR1RETKIF5B
Hydrochloric Acid SCHEMBL7459845 0.80 KDR (0.71) KDRFLT1FGFR1RETKIF5B
SCHEMBL7455479 0.80 KDR (0.68) KDRFLT1FGFR1RETKIF5B
SCHEMBL7457036 0.79 KDR (1.00) KDRFLT1FGFR1FLT4EGFR
SCHEMBL7458759 0.78 KDR (0.75) KDRFLT1FGFR1RETKIF5B

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-0873319-A1 QUINAZOLINE DERIVATIVES ZENECA LIMITED (GB) 1998-10-28 EP claimed
WO-1997022596-A1 QUINAZOLINE DERIVATIVES ZENECA LIMITED (GB) 1997-06-26 WO claimed