SCHEMBL8976408

SCHEMBL8976408

Nc1ccc2ncnc(Nc3ccc4ncccc4c3)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 1.00
ERBB2 P04626 4/20 0.61
ERBB4 Q15303 1/20 0.61
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
TP53 P04637 1/20 0.56
HSP90AA1 P07900 1/20 0.56
HSP90AB1 P08238 1/20 0.56
MAPT P10636 1/20 0.56
TSHR P16473 1/20 0.56
CASP1 P29466 1/20 0.56
HTT P42858 1/20 0.56
ATM Q13315 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HSD17B10 Q99714 1/20 0.56

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
SCHEMBL2103341 0.81 EGFR (0.82) EGFRERBB2KDM4EALDH1A1MAPT
SCHEMBL160997 0.81 EGFR (0.68) EGFRERBB2ERBB4ATM
SCHEMBL8976231 0.81 EGFR (0.69) EGFRERBB2ERBB4ALDH1A1MAPT
SCHEMBL8976584 0.81 EGFR (0.67) EGFRERBB2ERBB4MAPT
SCHEMBL8976743 0.80 EGFR (0.69) EGFRATM
SCHEMBL30513 0.79 EGFR (1.00) EGFRERBB2KDM4EHTT
SCHEMBL29690398 0.79 EGFR (1.00) EGFRERBB2KDM4EHTT
SCHEMBL8976404 0.78 EGFR (0.69) EGFRERBB2ERBB4
SCHEMBL4586685 0.77 EGFR (0.75) EGFRERBB2KDM4EALDH1A1
SCHEMBL8093519 0.77 EGFR (1.00) EGFRERBB2

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
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
CN-1094043-A Quinazoline derivant ZENECA LTD (GB) 1994-10-26 CN disclosed
EP-0602851-A1 Quinazoline derivatives ZENECA LIMITED (GB) 1994-06-22 EP disclosed