SCHEMBL4279864

SCHEMBL4279864

COc1ccc2oc(C(N)=O)c(NC(=O)[C@H]3CC(F)(F)CN3C(C)(C)C)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.43
ALDH1A1 P00352 9/20 0.43
HSD17B10 Q99714 6/20 0.42
HPGD P15428 5/20 0.42
TSHR P16473 5/20 0.42
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MAPK10 P53779 1/20 0.42
SMN1; SMN2 Q16637 7/20 0.40
HTT P42858 3/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 6/20 0.40
NPC1 O15118 5/20 0.40
RAB9A P51151 5/20 0.40
USP2 O75604 1/20 0.39
RAD52 P43351 1/20 0.39
POLB P06746 1/20 0.39
LMNA P02545 2/20 0.38
DHODH Q02127 1/20 0.38

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
SCHEMBL4277810 0.88 KMT2A (0.43) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL4282221 0.88 KDM4E (0.54) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL1853397 0.86 ALDH1A1 (0.40) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL1853394 0.86 ALDH1A1 (0.40) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL1850429 0.75 KMT2A (0.42) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL1851790 0.75 CFD (0.43) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL1851482 0.75 KDM4E (0.50) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL1851485 0.75 KDM4E (0.50) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL1851107 0.75 CFD (0.43) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL1851792 0.75 CFD (0.43) KDM4EALDH1A1HSD17B10HPGDTSHR

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