SCHEMBL4232113

SCHEMBL4232113

NC(=O)c1ccccc1-c1ccc2cnncc2c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.54
ALOX5AP P20292 2/20 0.50
FEN1 P39748 1/20 0.50
CHEK1 O14757 1/20 0.48
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
PARP1 P09874 5/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
CSNK1A1 P48729 1/20 0.44
TYRO3 Q06418 1/20 0.44
DYRK1B Q9Y463 1/20 0.44
EIF4E P06730 1/20 0.41
GRM5 P41594 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
MAP4K1 Q92918 1/20 0.41
TGFBR1 P36897 2/20 0.40
CTSA P10619 1/20 0.40

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
SCHEMBL3035393 0.86 PARP1 (0.48) BCAT2ALOX5APFEN1SLC6A2SLC6A4
SCHEMBL4235118 0.86 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3NPC1RAB9A
SCHEMBL3111889 0.84 AR (0.55) BCAT2ALOX5APFEN1CHEK1SLC6A2
SCHEMBL31621279 0.83 SLC6A2 (0.64) BCAT2ALOX5APFEN1CHEK1SLC6A2
SCHEMBL31621280 0.83 SLC6A2 (0.64) BCAT2ALOX5APFEN1CHEK1SLC6A2
SCHEMBL3035398 0.83 BCAT2 (0.50) BCAT2PARP1NPC1RAB9A
SCHEMBL3040072 0.80 AR (0.47) SLC6A2SLC6A4SLC6A3PARP1TGFBR1
SCHEMBL3037599 0.80 PARP1 (0.47) ALOX5APFEN1PARP1
SCHEMBL3037606 0.77 PARP1 (0.47) PARP1
SCHEMBL3040077 0.77 AR (0.44) ALOX5APPARP1TGFBR1

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-2077998-A1 PHTHALAZINE, AZA- AND DIAZA-PHTHALAZINE COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2009-07-15 EP disclosed
WO-2008030466-A1 PHTHALAZINE, AZA- AND DIAZA-PHTHALAZINE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2008-03-13 WO disclosed