SCHEMBL4630962

SCHEMBL4630962

Nc1ccc(-c2ccnc(OC(=O)NC(=O)O)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.39
CAMK2D Q13557 4/20 0.38
KMO O15229 2/20 0.38
AURKA O14965 1/20 0.36
HSP90AA1 P07900 1/20 0.36
PRKACA P17612 1/20 0.36
ADORA2A P29274 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 2/20 0.36
KDM4E B2RXH2 1/20 0.36
PRNP P04156 1/20 0.36
POLB P06746 1/20 0.36
MAP4K4 O95819 1/20 0.35
ALPL P05186 1/20 0.35
MAPK8 P45983 1/20 0.34
MAPK10 P53779 1/20 0.34
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL3138994 0.67 MAPT (0.56) MEN1KMT2AMAPTL3MBTL1
SCHEMBL21537437 0.66 KDM4E (0.59) IKBKBKMOAURKAHSP90AA1PRKACA
SCHEMBL3140138 0.65 MAPT (0.54) MEN1KMT2AGAAMAPTL3MBTL1
SCHEMBL21164006 0.65 HSP90AA1 (0.70) IKBKBKMOAURKAHSP90AA1PRKACA
SCHEMBL15876512 0.65 MEN1 (0.55) IKBKBAURKAHSP90AA1PRKACAADORA2A
SCHEMBL28712359 0.65 PIK3CA (0.46) MEN1KMT2AMAP4K4MAPTLMNA
SCHEMBL3135428 0.65 MAPT (0.61) MEN1KMT2AGAAMAPTL3MBTL1
SCHEMBL3134626 0.64 MAPT (0.53) MEN1KMT2AMAPTL3MBTL1
SCHEMBL28749623 0.64 MCL1 (0.46) KMOMEN1KMT2AKDM4EMAPT
SCHEMBL2036371 0.64 MAPK8 (0.56) CAMK2DKMOMEN1KMT2AKDM4E

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-1922306-A2 AMIDE DERIVATIVES AS ROCK INHIBITORS Astellas Pharma Inc. (JP) 2008-05-21 EP disclosed
WO-2007026920-A2 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2007-03-08 WO disclosed