SCHEMBL8317528

SCHEMBL8317528

CC(=O)c1ccc(-c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SGK1 O00141 4/20 0.74
MAPK8 P45983 1/20 0.67
MAPK9 P45984 1/20 0.67
MAPK10 P53779 1/20 0.67
CAMKK2 Q96RR4 3/20 0.61
AXL P30530 5/20 0.60
CLK1 P49759 2/20 0.56
DYRK1A Q13627 2/20 0.56
DYRK2 Q92630 2/20 0.56
DYRK1B Q9Y463 2/20 0.56
RIPK1 Q13546 1/20 0.55
MAP3K11 Q16584 4/20 0.54
NEK1 Q96PY6 1/20 0.53
CDK8 P49336 1/20 0.51
TNIK Q9UKE5 1/20 0.51

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
SCHEMBL8320085 0.89 AXL (0.76) SGK1MAPK8MAPK9MAPK10CAMKK2
SCHEMBL8320015 0.88 MAPK8 (0.65) SGK1MAPK8MAPK9MAPK10CAMKK2
SCHEMBL8320560 0.88 MAP3K11 (0.69) SGK1MAPK8MAPK9MAPK10CAMKK2
SCHEMBL8320557 0.87 MAPK8 (0.70) SGK1MAPK8MAPK9MAPK10CAMKK2
SCHEMBL8322707 0.85 MAPK8 (0.61) SGK1MAPK8MAPK9MAPK10CAMKK2
SCHEMBL8314581 0.85 SGK1 (0.62) SGK1MAPK8MAPK9MAPK10CAMKK2
SCHEMBL8941736 0.85 SGK1 (1.00) SGK1MAPK8MAPK9CAMKK2AXL
SCHEMBL8320314 0.84 MAPK8 (0.59) SGK1MAPK8MAPK9MAPK10CAMKK2
SCHEMBL14049065 0.84 DYRK1A (0.79) MAPK8MAPK9MAPK10AXLCLK1
SCHEMBL13745344 0.83 MAPK8 (0.58) SGK1MAPK8MAPK9MAPK10CAMKK2

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
WO-2004078756-A2 JNK INHIBITORS EISAI CO., LTD. (JP) 2004-09-16 WO disclosed