SCHEMBL4273196

SCHEMBL4273196

NC(=O)c1oc2ccc(Br)cc2c1NC(=O)C1CC(O)CN1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
MAPT P10636 3/20 0.44
ALDH1A1 P00352 6/20 0.43
HPGD P15428 2/20 0.43
MEN1 O00255 3/20 0.42
KDM4E B2RXH2 4/20 0.41
TSHR P16473 4/20 0.41
HSD17B10 Q99714 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ADORA2A P29274 1/20 0.36
CASP1 P29466 1/20 0.36
CASP6 P55212 1/20 0.35

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
SCHEMBL4105160 1.00 KMT2A (0.44) KMT2AMAPTALDH1A1HPGDMEN1
SCHEMBL1852384 0.89 KMT2A (0.43) KMT2AMAPTALDH1A1HPGDMEN1
SCHEMBL1852389 0.86 CYP1A2 (0.51) KMT2AMAPTALDH1A1HPGDMEN1
SCHEMBL1852387 0.86 CYP1A2 (0.51) KMT2AMAPTALDH1A1HPGDMEN1
SCHEMBL1859907 0.86 CYP1A2 (0.51) KMT2AMAPTALDH1A1HPGDMEN1
SCHEMBL4128711 0.85 ALDH1A1 (0.46) KMT2AMAPTALDH1A1HPGDMEN1
SCHEMBL4115321 0.83 ALDH1A1 (0.46) KMT2AMAPTALDH1A1HPGDMEN1
SCHEMBL4119304 0.78 KMT2A (0.46) KMT2AMAPTALDH1A1HPGDMEN1
SCHEMBL4118976 0.77 KMT2A (0.45) KMT2AMAPTALDH1A1HPGDMEN1
SCHEMBL4276029 0.77 KMT2A (0.47) KMT2AMAPTALDH1A1HPGDMEN1

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