SCHEMBL8684

SCHEMBL8684

COc1cc2ncnc(Nc3ccc(F)cc3F)c2cc1O

nearest known ligand 0.82

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 12/20 0.82
FLT1 P17948 5/20 0.82
FGFR1 P11362 3/20 0.82
RAF1 P04049 3/20 0.75
BRAF P15056 3/20 0.75
EGFR P00533 5/20 0.67
RET P07949 10/20 0.66
KIF5B P33176 9/20 0.66
EPHB2 P29323 1/20 0.65
FLT4 P35916 1/20 0.65
RIPK2 O43353 1/20 0.58
NOD1 Q9Y239 1/20 0.58

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
SCHEMBL5241456 0.90 KDR (0.83) KDRFLT1FGFR1RAF1BRAF
SCHEMBL24714001 0.86 BRAF (0.63) KDRFLT1FGFR1RAF1BRAF
SCHEMBL15051770 0.86 RAF1 (1.00) KDRFLT1FGFR1RAF1BRAF
SCHEMBL2055589 0.85 RAF1 (0.76) KDRFLT1FGFR1RAF1BRAF
SCHEMBL156289 0.85 KDR (0.83) KDRFLT1FGFR1RAF1BRAF
SCHEMBL14964757 0.84 EGFR (0.81) KDRFLT1RAF1BRAFEGFR
SCHEMBL13617351 0.84 KDR (0.65) KDRFLT1FGFR1RAF1BRAF
SCHEMBL1467058 0.84 KDR (0.83) KDRFLT1FGFR1RAF1BRAF
Hydrochloric Acid SCHEMBL28007000 0.84 KDR (0.81) KDRFLT1FGFR1RAF1BRAF
SCHEMBL18158611 0.83 KDR (0.82) KDRFLT1FGFR1EGFRRET

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0823900-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2000-12-27 EP disclosed
US-5770599-A RECEPTOR TYROSINE KINASE INHIBITORS including 4-(3'-chloro-4'-fluoroanilino)-7-methoxy-6-(2-morpholinoethoxy)quinazoline (gefitinib) ZENECA LIMITED (GB) 1998-06-23 US disclosed
EP-0823900-A1 QUINAZOLINE DERIVATIVES ZENECA LIMITED (GB) 1998-02-18 EP disclosed
WO-1996033980-A1 QUINAZOLINE DERIVATIVES ZENECA LIMITED (GB) 1996-10-31 WO disclosed