SCHEMBL27759477

SCHEMBL27759477

CN1C=Nc2ccc(N)cc2C1C=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
CHEK1 O14757 1/20 0.33
AURKA O14965 1/20 0.33
DAPK3 O43293 1/20 0.33
JAK2 O60674 1/20 0.33
PRKD3 O94806 1/20 0.33
MAP4K4 O95819 1/20 0.33
PAK4 O96013 1/20 0.33
ABL1 P00519 1/20 0.33
NTRK1 P04629 1/20 0.33
LCK P06239 1/20 0.33
FYN P06241 1/20 0.33
CSF1R P07333 1/20 0.33
RET P07949 1/20 0.33
IGF1R P08069 1/20 0.33
MET P08581 1/20 0.33
PDGFRB P09619 1/20 0.33

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
SCHEMBL27738778 0.85 RAD52 (0.33)
SCHEMBL27759470 0.82 ESR1 (0.35) DYRK1A
SCHEMBL27701793 0.82 MEN1 (0.34) CA1CA2
SCHEMBL27701767 0.78 LMNA (0.32)
SCHEMBL27738780 0.77 HIF1A (0.39)
SCHEMBL27759478 0.77 MEN1 (0.32)
SCHEMBL27682688 0.73 SRD5A1 (0.30)
SCHEMBL27759475 0.71 HSPB1 (0.42)
SCHEMBL28001004 0.71 CHEK1 (0.33) CA12CA1CA2CA9CHEK1
SCHEMBL27948446 0.66 CA12 (0.37) CA12CA1CA2CA9CHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101421253-A Quinazolin-4-one derivatives, process for their preparation and pharmaceutical compositions containing them ASTRAZENECA AB (SE) 2009-04-29 CN disclosed