SCHEMBL7209616

SCHEMBL7209616

COc1cc2ncnc(Sc3cccc(O)c3)c2cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 1.00
RET P07949 4/20 1.00
KIF5B P33176 4/20 1.00
EGFR P00533 2/20 0.73
LCK P06239 1/20 0.73
BRAF P15056 10/20 0.59
RAF1 P04049 6/20 0.58
FGFR1 P11362 1/20 0.56
FLT1 P17948 1/20 0.56
CDK2 P24941 1/20 0.56
PIK3R1 P27986 1/20 0.56
EPHB2 P29323 1/20 0.56
TTBK1 Q5TCY1 1/20 0.56
NOD1 Q9Y239 1/20 0.55
KDM1A O60341 2/20 0.53
FLT3 P36888 1/20 0.52

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
SCHEMBL1012180 0.85 KDR (0.73) KDRRETKIF5BEGFRLCK
SCHEMBL17278106 0.84 KDR (0.72) KDRRETKIF5BEGFRLCK
SCHEMBL19916680 0.82 EGFR (0.70) KDRRETKIF5BEGFRLCK
SCHEMBL4375169 0.81 KDM1A (0.76) KDRRETKIF5BEGFRLCK
SCHEMBL1782126 0.79 BRAF (0.72) KDRRETKIF5BEGFRLCK
SCHEMBL1013313 0.79 RET (0.65) KDRRETKIF5BEGFRLCK
SCHEMBL1013510 0.79 RET (0.65) KDRRETKIF5BEGFRLCK
SCHEMBL16692917 0.79 KDR (0.65) KDRRETKIF5BEGFRLCK
SCHEMBL15463598 0.79 BRAF (0.69) KDRRETKIF5BEGFRLCK
SCHEMBL1013319 0.77 KDM1A (0.67) KDRRETKIF5BEGFRLCK

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-0880508-B1 QUINAZOLINE DERIVATIVES AS VEGF INHIBITORS ASTRAZENECA AB (SE) 2003-04-16 EP disclosed
US-6184225-B1 ENDOTHELIAL GROWTH FACTOR INHIBITORS, ANGIOGENESIS INHIBITORS ZENECA LIMITED (GB) 2001-02-06 US disclosed
EP-0880508-A1 QUINAZOLINE DERIVATIVES AS VEGF INHIBITORS ZENECA LIMITED (GB) 1998-12-02 EP disclosed
WO-1997030035-A1 QUINAZOLINE DERIVATIVES AS VEGF INHIBITORS ZENECA LIMITED (GB) 1997-08-21 WO disclosed