SCHEMBL1967583

SCHEMBL1967583

N#Cc1ccc(-c2ccccc2C(N)=O)nc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 7/20 0.52
PARP2 Q9UGN5 1/20 0.52
BCAT2 O15382 1/20 0.47
JAK2 O60674 1/20 0.46
ALOX5AP P20292 1/20 0.42
FEN1 P39748 1/20 0.42
CSNK1A1 P48729 1/20 0.42
TYRO3 Q06418 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
MAPK9 P45984 1/20 0.41
MAPK10 P53779 1/20 0.41
CASP1 P29466 1/20 0.41
TGFBR1 P36897 1/20 0.40
CSF1R P07333 1/20 0.40
EGLN2 Q96KS0 1/20 0.40
GRM5 P41594 1/20 0.39
BRS3 P32247 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
SCHEMBL28045856 0.80 BCAT2 (0.65) PARP1PARP2BCAT2CASP1CSF1R
SCHEMBL3529606 0.77 BCAT2 (0.51) PARP1BCAT2JAK2ALOX5APFEN1
SCHEMBL1967459 0.77 BCAT2 (0.51) PARP1BCAT2ALOX5APFEN1CSNK1A1
SCHEMBL7360342 0.77 BCAT2 (0.51) PARP1BCAT2ALOX5APFEN1CSNK1A1
SCHEMBL28317480 0.75 PARP1 (0.43) PARP1PARP2BCAT2JAK2CSNK1A1
SCHEMBL25093211 0.73 BCAT2 (0.47) PARP1BCAT2ALOX5APFEN1CSNK1A1
SCHEMBL17894102 0.73 KMT2A (0.54) PARP1BCAT2ALOX5APFEN1CSNK1A1
SCHEMBL30839549 0.73 PARP1 (0.48) PARP1BCAT2ALOX5APFEN1CSNK1A1
SCHEMBL30810258 0.73 KMT2A (0.54) PARP1BCAT2ALOX5APFEN1CSNK1A1
SCHEMBL29069180 0.73 BCAT2 (0.44) PARP1PARP2BCAT2ALOX5APFEN1

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-2334652-A1 1H-BENZ IMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS Boehringer Ingelheim International GmbH (DE) 2011-06-22 EP disclosed
EP-1661569-B1 Compounds effecting glucokinase ASTRAZENECA AB (SE) 2008-06-11 EP disclosed