SCHEMBL6841569

SCHEMBL6841569

COc1ccnc2c1C(=O)c1nc3ccc(Br)cc3c3ccnc-2c13

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.42
KMT2A Q03164 3/20 0.41
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
MAPK1 P28482 2/20 0.40
HTT P42858 2/20 0.40
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HKDC1 Q2TB90 1/20 0.40
GAK O14976 2/20 0.39
EPHB6 O15197 1/20 0.39
RIPK2 O43353 1/20 0.39
STK16 O75716 1/20 0.39
ABL1 P00519 1/20 0.39
ACVR1 Q04771 1/20 0.39
AAK1 Q2M2I8 1/20 0.39
COQ8A Q8NI60 1/20 0.39
NLK Q9UBE8 1/20 0.39
PRNP P04156 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
SCHEMBL7638107 0.84 TOP2A (0.60) TOP2AKMT2ALMNAMAPTHPGD
SCHEMBL6846957 0.82 GAK (0.40) KMT2AHTTSMN1; SMN2GAKEPHB6
SCHEMBL6846906 0.76 TOP2A (0.72) TOP2AKMT2AHTTATMHKDC1
SCHEMBL6407142 0.75 MAPT (0.46) TOP2AKMT2ALMNAMAPTHPGD
SCHEMBL6407178 0.74 MAPT (0.50) KMT2ALMNAMAPTHPGDMAPK1
SCHEMBL6845499 0.73 TOP2A (0.57) TOP2AKMT2AHTTATMHKDC1
SCHEMBL20259137 0.73 TOP2A (0.51) TOP2AKMT2AHPGDATMSMN1; SMN2
SCHEMBL7190567 0.72 TERT (0.57) TOP2AKMT2ALMNAMAPTHPGD
SCHEMBL358762 0.70 GAK (0.61) KMT2AMAPTGAKEPHB6RIPK2
SCHEMBL6846950 0.70 TOP2A (0.66) TOP2ALMNAMAPK1HKDC1ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1202992-B1 ASCIDIDEMIN DERIVATIVES AND THEIR THERAPEUTIC APPLICATIONS CEPHALON FRANCE (FR) 2004-09-15 EP claimed
EP-1373194-A1 BENZAMIDE INHIBITORS OF FACTOR Xa Millennium Pharmaceuticals, Inc. (US) 2004-01-02 EP claimed
WO-2002079145-A1 BENZAMIDE INHIBITORS OF FACTOR Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-10-10 WO claimed
EP-1202992-B1 ASCIDIDEMIN DERIVATIVES AND THEIR THERAPEUTIC APPLICATIONS CEPHALON FRANCE (FR) 2004-09-15 EP disclosed
EP-1373194-A1 BENZAMIDE INHIBITORS OF FACTOR Xa Millennium Pharmaceuticals, Inc. (US) 2004-01-02 EP disclosed
WO-2002079145-A1 BENZAMIDE INHIBITORS OF FACTOR Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-10-10 WO disclosed