SCHEMBL6017316

SCHEMBL6017316

COc1cc2ncnc(Cl)c2cc1OC1CCN(C(C)(C)C)CC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 2/20 0.52
PDE10A Q9Y233 8/20 0.50
EGFR P00533 6/20 0.50
KDR P35968 4/20 0.49
FLT1 P17948 2/20 0.49
FGFR1 P11362 1/20 0.49
PDE3B Q13370 4/20 0.48
PDE3A Q14432 4/20 0.48
EPHA2 P29317 3/20 0.48
EPHB4 P54760 3/20 0.48
ERBB2 P04626 3/20 0.46

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
SCHEMBL5754733 1.00 ENPP1 (0.52) ENPP1PDE10AEGFRKDRFLT1
SCHEMBL4375009 0.87 EGFR (0.63) ENPP1PDE10AEGFRKDRFLT1
SCHEMBL3427416 0.84 KDR (0.62) ENPP1PDE10AEGFRKDRFLT1
SCHEMBL14489836 0.83 EGFR (0.52) ENPP1PDE10AEGFRKDRFLT1
SCHEMBL29465791 0.82 PIK3CD (0.54) EGFRKDREPHA2EPHB4ERBB2
SCHEMBL665187 0.82 PIK3CD (0.54) EGFRKDREPHA2EPHB4ERBB2
SCHEMBL29465790 0.82 PIK3CD (0.54) EGFRKDREPHA2EPHB4ERBB2
SCHEMBL2453138 0.82 PIK3CD (0.54) EGFRKDREPHA2EPHB4ERBB2
SCHEMBL14489848 0.82 ACHE (0.57) EGFREPHB4ERBB2
SCHEMBL3129523 0.82 EGFR (0.56) ENPP1EGFREPHB4ERBB2

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
EP-1664028-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS AstraZeneca AB (SE) 2006-06-07 EP disclosed
WO-2005026151-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2005-03-24 WO disclosed