SCHEMBL2717397

SCHEMBL2717397

NC(=O)c1cnccc1Nc1ccc2ccncc2c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 1/20 0.51
MAPK10 P53779 1/20 0.51
TGFBR1 P36897 4/20 0.45
SIRT2 Q8IXJ6 2/20 0.45
SIRT3 Q9NTG7 2/20 0.45
SIRT1 Q96EB6 1/20 0.45
IMPDH2 P12268 4/20 0.44
MAP2K2 P36507 1/20 0.43
MAP2K1 Q02750 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPK14 Q16539 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.43
TNIK Q9UKE5 1/20 0.42
ROCK2 O75116 2/20 0.41
ROCK1 Q13464 1/20 0.41
NOTUM Q6P988 1/20 0.41
F9 P00740 1/20 0.40
TGFBR2 P37173 1/20 0.39

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
SCHEMBL2717012 0.94 MAPK9 (0.51) MAPK9MAPK10SIRT2SIRT3SIRT1
SCHEMBL3959568 0.81 TGFBR1 (0.43) MAPK9MAPK10TGFBR1SIRT2SIRT3
SCHEMBL2716640 0.81 SYK (0.58) MAPK9MAPK10TGFBR1SIRT2HTT
SCHEMBL2715880 0.81 MAPK9 (0.49) MAPK9MAPK10TGFBR1SIRT2SIRT3
SCHEMBL4435120 0.81 SYK (0.55) MAPK9TDP1KDM4EHTTROCK2
SCHEMBL2717394 0.79 RAB9A (0.59) MAPK9MAPK10SIRT2SIRT3SIRT1
SCHEMBL5078983 0.78 SIRT3 (0.54) TGFBR1SIRT2SIRT3IMPDH2TDP1
SCHEMBL479807 0.78 SIRT2 (0.54) SIRT2SIRT3SIRT1TDP1KDM4E
SCHEMBL28283004 0.78 MAPK8 (0.57) MAPK9SIRT2SIRT1MAP2K1ROCK2
SCHEMBL2712559 0.77 PTGS1 (0.56) TGFBR1KDM4EHTT

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-2635556-A2 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS Portola Pharmaceuticals, Inc. (US) 2013-09-11 EP claimed
WO-2012061418-A2 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-10 WO claimed