SCHEMBL7106099

SCHEMBL7106099

NC(=O)c1ccc(-c2ccnc(NCCNc3ccc(S(=O)(=O)C(F)(F)F)cn3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 5/20 0.44
CHUK O15111 1/20 0.44
MAPK8 P45983 3/20 0.43
MAPK10 P53779 1/20 0.43
CAMKK2 Q96RR4 5/20 0.41
GSK3B P49841 2/20 0.41
PIK3CG P48736 2/20 0.41
MAP4K4 O95819 1/20 0.39
CCR6 P51684 1/20 0.39
JAK2 O60674 1/20 0.39
SYK P43405 1/20 0.38
HDAC1 Q13547 1/20 0.38
PRKD3 O94806 1/20 0.37
EGFR P00533 1/20 0.37
PRKCG P05129 1/20 0.37
PRKCB P05771 1/20 0.37
LCK P06239 1/20 0.37
PRKCA P17252 1/20 0.37
PRKCH P24723 1/20 0.37
PRKCI P41743 1/20 0.37

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
SCHEMBL5089391 0.84 MAPK8 (0.46) IKBKBMAPK8MAPK10CAMKK2GSK3B
SCHEMBL5094140 0.81 MAPK8 (0.48) IKBKBCHUKMAPK8MAPK10CAMKK2
SCHEMBL5089535 0.80 MKNK1 (0.50) MAPK8MAPK10CAMKK2GSK3BPIK3CG
SCHEMBL27559787 0.79 MAPK8 (0.43) IKBKBCHUKMAPK8MAPK10CAMKK2
SCHEMBL5092137 0.79 MAPK8 (0.46) IKBKBCHUKMAPK8MAPK10CAMKK2
SCHEMBL5093422 0.78 MAPK8 (0.57) IKBKBCHUKMAPK8MAPK10CAMKK2
SCHEMBL5091983 0.77 MAPK8 (0.61) IKBKBCHUKMAPK8MAPK10CAMKK2
SCHEMBL5089083 0.76 MKNK1 (0.47) MAPK8MAPK10CAMKK2GSK3BPIK3CG
SCHEMBL7844380 0.74 MAPK8 (0.53) IKBKBCHUKMAPK8MAPK10CAMKK2
SCHEMBL5089454 0.74 MAPK8 (0.53) IKBKBCHUKMAPK8MAPK10CAMKK2

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-1317433-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2003-06-11 EP disclosed
WO-2002020495-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2002-03-14 WO disclosed