SCHEMBL6599321

SCHEMBL6599321

O[CH]c1ccc2[nH]ncc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.53
NOS1 P29475 4/20 0.53
ROCK1 Q13464 4/20 0.53
MAPT P10636 2/20 0.53
METAP2 P50579 1/20 0.53
CSNK2A1 P68400 1/20 0.53
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
GAA P10253 1/20 0.53
HPGD P15428 1/20 0.53
RAB9A P51151 1/20 0.53
KMT2A Q03164 1/20 0.53
HIF1A Q16665 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
NEK2 P51955 1/20 0.52
MAOB P27338 5/20 0.50
CLK1 P49759 2/20 0.49
GSK3B P49841 2/20 0.49
DYRK3 O43781 1/20 0.49

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
SCHEMBL6600480 0.85 NOS1 (0.53) NOS1MAPTMETAP2KDM4EMEN1
SCHEMBL29569257 0.81 NOS1 (0.53) ROCK2NOS1ROCK1MAPTMETAP2
SCHEMBL3722635 0.81 NOS1 (0.53) ROCK2NOS1ROCK1MAPTMETAP2
SCHEMBL182465 0.81 NOS1 (0.53) ROCK2NOS1ROCK1MAPTMETAP2
SCHEMBL12833351 0.81 NOS1 (0.53) ROCK2NOS1ROCK1MAPTMETAP2
SCHEMBL2659198 0.80 MAOB (0.57) ROCK2NOS1ROCK1MAPTMETAP2
SCHEMBL2659196 0.80 MAOB (0.57) ROCK2NOS1ROCK1MAPTMETAP2
SCHEMBL1754870 0.79 NEK2 (0.62) ROCK2NOS1ROCK1MAPTMETAP2
SCHEMBL20821115 0.78 NOS1 (0.50) ROCK2NOS1ROCK1MAPTMETAP2
SCHEMBL27904839 0.78 NEK2 (0.47) ROCK2NOS1ROCK1MAPTMETAP2

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-1385833-A1 TRIAZINYL AMIDE DERIVATIVES AS ANGIOGENESIS INHIBITORS Amgen Inc. (US) 2004-02-04 EP disclosed
WO-2002083654-A1 TRIAZINYL AMIDE DERIVATIVES AS ANGIOGENESIS INHIBITORS AMGEN INC. (US) 2002-10-24 WO disclosed