SCHEMBL8976728

SCHEMBL8976728

COc1cc2ncnc(Nc3ccc4cc[nH]c4c3)c2cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RET P07949 7/20 1.00
KDR P35968 6/20 0.71
EGFR P00533 14/20 0.67
CLK1 P49759 1/20 0.67
ABCG2 Q9UNQ0 1/20 0.67
LCK P06239 6/20 0.66
KIF5B P33176 1/20 0.62
FLT1 P17948 1/20 0.61
GAK O14976 1/20 0.61
RIPK2 O43353 1/20 0.61
STK10 O94804 1/20 0.61
FLT3 P36888 1/20 0.61
JAK3 P52333 1/20 0.61
AAK1 Q2M2I8 1/20 0.61
Q6ZSR9 Q6ZSR9 1/20 0.61
SLK Q9H2G2 1/20 0.61
IRAK4 Q9NWZ3 1/20 0.61
RPS6KA6 Q9UK32 1/20 0.61
ALK Q9UM73 1/20 0.61

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
SCHEMBL4376291 0.91 RET (0.84) RETKDREGFRCLK1ABCG2
SCHEMBL8561433 0.91 RET (0.83) RETKDREGFRCLK1ABCG2
Hydrochloric Acid SCHEMBL8904802 0.90 RET (0.81) RETKDREGFRCLK1ABCG2
Hydrochloric Acid SCHEMBL4371602 0.89 RET (0.80) RETKDREGFRCLK1ABCG2
SCHEMBL4383740 0.87 RET (0.75) RETKDREGFRABCG2LCK
SCHEMBL4373277 0.87 RET (0.75) RETKDREGFRFLT1
SCHEMBL4380853 0.86 RET (0.74) RETKDREGFRCLK1ABCG2
SCHEMBL4371491 0.85 RET (0.74) RETKDREGFRCLK1ABCG2
Hydrochloric Acid SCHEMBL4380718 0.85 RET (0.73) RETKDREGFRFLT1
SCHEMBL4378849 0.85 RET (0.72) RETKDREGFRCLK1ABCG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5580870-A ANTICARCINOGENIC AGENTS ZENECA LIMITED (GB) 1996-12-03 US disclosed
EP-0602851-B1 Quinazoline derivatives ZENECA LTD (GB) 1996-10-09 EP disclosed
EP-0602851-A1 Quinazoline derivatives ZENECA LIMITED (GB) 1994-06-22 EP disclosed