SCHEMBL8976584

SCHEMBL8976584

CC(=O)Nc1ccc2ncnc(Nc3ccc4ncccc4c3)c2c1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.67
ABCG2 Q9UNQ0 2/20 0.61
ERBB2 P04626 6/20 0.60
LCK P06239 1/20 0.60
FYN P06241 2/20 0.59
SRC P12931 2/20 0.59
ERBB4 Q15303 2/20 0.58
MEN1 O00255 1/20 0.55
NPC1 O15118 1/20 0.55
POLB P06746 1/20 0.55
MAPT P10636 1/20 0.55
KMT2A Q03164 1/20 0.55
RAF1 P04049 1/20 0.53
BRAF P15056 1/20 0.53

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
SCHEMBL7125375 0.86 EGFR (0.70) EGFRERBB2FYNSRCERBB4
SCHEMBL8976404 0.86 EGFR (0.69) EGFRERBB2FYNSRCERBB4
SCHEMBL1538297 0.84 NPC1 (0.77) MEN1NPC1POLBMAPTKMT2A
SCHEMBL29728201 0.84 NPC1 (0.77) MEN1NPC1POLBMAPTKMT2A
SCHEMBL27758510 0.83 EGFR (0.76) EGFRABCG2ERBB2LCKFYN
SCHEMBL7125216 0.81 EGFR (0.72) EGFRERBB2FYNSRCERBB4
SCHEMBL2100347 0.81 EGFR (0.77) EGFRABCG2ERBB2
SCHEMBL8976408 0.81 EGFR (1.00) EGFRERBB2ERBB4MAPT
SCHEMBL9974895 0.81 EGFR (0.76) EGFRABCG2ERBB2FYNSRC
SCHEMBL8871003 0.81 EGFR (0.76) EGFRABCG2ERBB2MEN1NPC1

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