SCHEMBL4273003

SCHEMBL4273003

CCC1(C)C(C)C(C(=O)Nc2c(C(N)=O)oc3ccc(Br)cc23)N(C(=O)O)C1(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
MAPT P10636 4/20 0.46
ALDH1A1 P00352 5/20 0.40
HPGD P15428 3/20 0.40
TSHR P16473 5/20 0.39
KDM4E B2RXH2 4/20 0.39
MEN1 O00255 2/20 0.39
HSD17B10 Q99714 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
NPSR1 Q6W5P4 1/20 0.36
ESR1 P03372 1/20 0.35
HTT P42858 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
TEAD1 P28347 1/20 0.33
YAP1 P46937 1/20 0.33
TEAD4 Q15561 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
SCHEMBL4118976 0.77 KMT2A (0.45) KMT2AMAPTALDH1A1HPGDTSHR
SCHEMBL4273148 0.75 KMT2A (0.49) KMT2AMAPTALDH1A1HPGDTSHR
SCHEMBL4128711 0.71 ALDH1A1 (0.46) KMT2AMAPTALDH1A1HPGDTSHR
SCHEMBL4119304 0.70 KMT2A (0.46) KMT2AMAPTALDH1A1HPGDTSHR
SCHEMBL1851522 0.70 MAPT (0.57) KMT2AMAPTALDH1A1HPGDTSHR
SCHEMBL4115321 0.69 ALDH1A1 (0.46) KMT2AMAPTALDH1A1HPGDTSHR
SCHEMBL4272956 0.69 KMT2A (0.48) KMT2AMAPTALDH1A1HPGDTSHR
SCHEMBL4105160 0.69 KMT2A (0.44) KMT2AMAPTALDH1A1HPGDTSHR
SCHEMBL4273196 0.69 KMT2A (0.44) KMT2AMAPTALDH1A1HPGDTSHR
SCHEMBL4283164 0.68 PIM1 (0.52)

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