SCHEMBL8442334

SCHEMBL8442334

O=C(O)c1cnc2[nH]cc(-c3cn[nH]c3)c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 10/20 0.54
CAMKK2 Q96RR4 5/20 0.54
SGK1 O00141 3/20 0.54
MAPK8 P45983 2/20 0.52
MAPK9 P45984 2/20 0.52
MAPK10 P53779 1/20 0.52
DYRK1A Q13627 4/20 0.49
CLK1 P49759 2/20 0.49
DYRK1B Q9Y463 2/20 0.49
NEK1 Q96PY6 1/20 0.47
CDC7 O00311 1/20 0.46
PLK4 O00444 1/20 0.46
CHEK1 O14757 1/20 0.46
AURKA O14965 1/20 0.46
MAPK13 O15264 1/20 0.46
PDPK1 O15530 1/20 0.46
DYRK3 O43781 1/20 0.46
ROCK2 O75116 1/20 0.46
RPS6KA5 O75582 1/20 0.46
PRKD3 O94806 1/20 0.46

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 0.86 AXL (0.76) AXLCAMKK2SGK1MAPK8MAPK9
SCHEMBL8280140 0.82 BTK (0.50) AXLCAMKK2SGK1MAPK8MAPK9
SCHEMBL8281331 0.81 PDPK1 (0.49) AXLMAPK8MAPK9MAPK10DYRK1A
SCHEMBL8281313 0.81 JAK1 (0.48) MAPK8MAPK9MAPK10DYRK1ACLK1
SCHEMBL8281297 0.81 JAK1 (0.48) MAPK8MAPK9MAPK10DYRK1ACLK1
SCHEMBL3346633 0.81 PRKD3 (0.52) AXLMAPK8MAPK9MAPK10DYRK1A
SCHEMBL8281311 0.80 JAK1 (0.48) MAPK8MAPK9MAPK10DYRK1ACLK1
SCHEMBL3351160 0.80 MAPK8 (0.56) AXLMAPK8MAPK9MAPK10DYRK1A
SCHEMBL8281322 0.80 JAK1 (0.48) MAPK8MAPK9MAPK10DYRK1ACLK1
SCHEMBL13357059 0.80 MAPK8 (0.49) AXLCAMKK2SGK1MAPK8MAPK9

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-1749829-B1 JNK inhibitors EISAI R&D MAN CO LTD (JP) 2010-11-03 EP disclosed
EP-1749829-A1 JNK inhibitors Eisai London Research Laboratories Limited (GB) 2007-02-07 EP disclosed