SCHEMBL16760366

SCHEMBL16760366

COc1cc2ncnc(Nc3ccc(C)c(O)c3C)c2cc1OC

nearest known ligand 0.79

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RET P07949 17/20 0.79
KDR P35968 16/20 0.79
KIF5B P33176 13/20 0.79
FGFR1 P11362 2/20 0.63
FLT1 P17948 2/20 0.63
GAK O14976 1/20 0.60
RIPK2 O43353 1/20 0.60
STK10 O94804 1/20 0.60
EGFR P00533 1/20 0.60
FLT3 P36888 1/20 0.60
JAK3 P52333 1/20 0.60
AAK1 Q2M2I8 1/20 0.60
Q6ZSR9 Q6ZSR9 1/20 0.60
SLK Q9H2G2 1/20 0.60
IRAK4 Q9NWZ3 1/20 0.60
RPS6KA6 Q9UK32 1/20 0.60
ALK Q9UM73 1/20 0.60
SRC P12931 1/20 0.60

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
SCHEMBL16760379 0.88 RET (1.00) RETKDRKIF5BFGFR1FLT1
Hydrochloric Acid SCHEMBL16760482 0.87 RET (0.98) RETKDRKIF5BFGFR1FLT1
SCHEMBL18158909 0.84 RET (1.00) RETKDRKIF5BFGFR1FLT1
SCHEMBL18153625 0.84 RET (0.82) RETKDRKIF5BFGFR1FLT1
Hydrochloric Acid SCHEMBL18153626 0.83 KDR (0.80) RETKDRKIF5BFGFR1FLT1
SCHEMBL16785515 0.83 RET (1.00) RETKDRKIF5BFGFR1FLT1
Hydrochloric Acid SCHEMBL16760376 0.82 RET (0.98) RETKDRKIF5BFGFR1FLT1
SCHEMBL6288560 0.81 KDR (0.77) RETKDRKIF5BFGFR1FLT1
SCHEMBL5865163 0.81 KDR (0.70) RETKDRKIF5BFGFR1FLT1
SCHEMBL16760487 0.81 RET (0.80) RETKDRKIF5B

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
WO-2015079251-A1 QUINAZOLINE COMPOUNDS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2015-06-04 WO claimed
WO-2015079251-A1 QUINAZOLINE COMPOUNDS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2015-06-04 WO disclosed