SCHEMBL4274546

SCHEMBL4274546

COc1ccc2oc(C(N)=O)c(NC(=O)[C@@H]3CCCN3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.47
ALDH1A1 P00352 6/20 0.47
HSD17B10 Q99714 7/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
HPGD P15428 4/20 0.47
TSHR P16473 4/20 0.47
NPSR1 Q6W5P4 2/20 0.47
MAPK10 P53779 1/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
MAPT P10636 4/20 0.47
HTT P42858 3/20 0.46
TP53 P04637 2/20 0.45
LMNA P02545 2/20 0.43
DHODH Q02127 1/20 0.43
ALOX15 P16050 1/20 0.43
POLB P06746 2/20 0.43
CYP1A2 P05177 1/20 0.42

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
SCHEMBL4274709 1.00 KDM4E (0.47) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL4274784 0.85 ALDH1A1 (0.48) KDM4EALDH1A1HSD17B10MEN1KMT2A
Hydrochloric Acid SCHEMBL1849895 0.84 ALDH1A1 (0.47) KDM4EALDH1A1HSD17B10MEN1KMT2A
Hydrochloric Acid SCHEMBL1853484 0.84 KDM4E (0.58) KDM4EALDH1A1HSD17B10MEN1KMT2A
Hydrochloric Acid SCHEMBL1854249 0.83 KDM4E (0.57) KDM4EALDH1A1HSD17B10MEN1KMT2A
Hydrochloric Acid SCHEMBL1851342 0.82 ALDH1A1 (0.50) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL4113379 0.78 CYP2C9 (0.46) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL4119378 0.78 CYP2C9 (0.46) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL1855333 0.74 NPSR1 (0.49) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL1849965 0.74 NPSR1 (0.49) KDM4EALDH1A1HSD17B10MEN1KMT2A

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-2097419-A1 BENZOFUROPYRIMIDINONES AS PROTEIN KINASE INHIBITORS Exelixis, Inc. (US) 2009-09-09 EP disclosed
WO-2009086264-A1 BENZOFUROPYRIMIDINONES AS PROTEIN KINASE INHIBITORS EXELIXIS, INC. (US) 2009-07-09 WO disclosed