SCHEMBL8976347

SCHEMBL8976347

COc1cc2ncnc(Nc3ccc4cn[nH]c4c3)c2cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 8/20 1.00
KDR P35968 7/20 1.00
RAF1 P04049 1/20 0.70
BRAF P15056 1/20 0.70
EGFR P00533 11/20 0.66
CLK1 P49759 1/20 0.66
ABCG2 Q9UNQ0 1/20 0.66
LCK P06239 3/20 0.65
KIF5B P33176 2/20 0.63
FLT1 P17948 1/20 0.60
GAK O14976 1/20 0.60
RIPK2 O43353 1/20 0.60
STK10 O94804 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

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
SCHEMBL6181034 0.91 RET (1.00) RETKDREGFRCLK1ABCG2
Hydrochloric Acid SCHEMBL6179218 0.90 RET (0.98) RETKDREGFRCLK1ABCG2
SCHEMBL14699312 0.86 RET (0.75) RETKDRRAF1BRAFEGFR
SCHEMBL4379466 0.84 SRC (0.72) RETKDRBRAFEGFRABCG2
SCHEMBL15051600 0.83 RAF1 (1.00) RETKDRRAF1BRAF
SCHEMBL8976728 0.83 RET (1.00) RETKDREGFRCLK1ABCG2
SCHEMBL30264460 0.82 EGFR (0.74) RETKDREGFR
Hydrochloric Acid SCHEMBL6432540 0.81 RET (0.68) RETKDRRAF1BRAFEGFR
SCHEMBL5565137 0.80 EGFR (1.00) RETKDREGFRCLK1ABCG2
SCHEMBL8524535 0.80 EGFR (0.82) RETKDRRAF1BRAFEGFR

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