SCHEMBL12829477

SCHEMBL12829477

O=C(NCc1ccc(CF)cc1)c1ccc(-c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.53
MAPK9 P45984 1/20 0.53
MAPK10 P53779 1/20 0.53
SGK1 O00141 3/20 0.49
AXL P30530 3/20 0.49
CAMKK2 Q96RR4 2/20 0.49
ROCK2 O75116 8/20 0.48
ROCK1 Q13464 8/20 0.48
MAP3K11 Q16584 3/20 0.47
DYRK1B Q9Y463 3/20 0.46
CLK1 P49759 1/20 0.45
DYRK1A Q13627 1/20 0.45
DYRK2 Q92630 1/20 0.45

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
SCHEMBL8321175 0.91 KDM1A (0.55) MAPK8MAPK9MAPK10SGK1AXL
SCHEMBL8322707 0.84 MAPK8 (0.61) MAPK8MAPK9MAPK10SGK1AXL
SCHEMBL12829932 0.83 MAPK8 (0.57) MAPK8MAPK9MAPK10SGK1AXL
SCHEMBL8320314 0.82 MAPK8 (0.59) MAPK8MAPK9MAPK10SGK1AXL
SCHEMBL8313907 0.82 ROCK2 (0.62) MAPK8MAPK9MAPK10SGK1AXL
SCHEMBL13745344 0.82 MAPK8 (0.58) MAPK8MAPK9MAPK10SGK1AXL
SCHEMBL8319993 0.82 MAPK8 (0.55) MAPK8MAPK9MAPK10SGK1AXL
SCHEMBL8322829 0.81 GSK3B (0.53) MAPK8MAPK9MAPK10SGK1AXL
SCHEMBL8313403 0.81 MAPK8 (0.51) MAPK8MAPK9MAPK10SGK1AXL
SCHEMBL8323358 0.81 MAPK8 (0.54) MAPK8MAPK9MAPK10SGK1AXL

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2295433-A2 JNK inhibitors Eisai R&D Management Co., Ltd. (JP) 2011-03-16 EP disclosed