SCHEMBL14045293

SCHEMBL14045293

NC(=O)c1ccc(Nc2nccc(C3=CCC(S(=O)(=O)c4ccncc4)C=C3)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.48
MAPK10 P53779 1/20 0.48
IKBKB O14920 7/20 0.47
CHUK O15111 3/20 0.47
CDK2 P24941 3/20 0.44
GSK3B P49841 2/20 0.44
CDK4 P11802 2/20 0.44
JAK2 O60674 1/20 0.44
CAMK2D Q13557 1/20 0.42
KCNH2 Q12809 1/20 0.42
LCK P06239 1/20 0.41
JAK3 P52333 1/20 0.41
PIK3CG P48736 1/20 0.40
CAMKK2 Q96RR4 1/20 0.40
AURKA O14965 2/20 0.39
ACVR1 Q04771 1/20 0.39
AURKB Q96GD4 1/20 0.39
MTOR P42345 1/20 0.39
SMG1 Q96Q15 1/20 0.39
MKNK1 Q9BUB5 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
SCHEMBL14045332 0.82 IKBKB (0.58) MAPK8MAPK10IKBKBCHUKGSK3B
SCHEMBL4073555 0.74 MAPK8 (0.67) MAPK8MAPK10IKBKBCHUKGSK3B
SCHEMBL4903457 0.73 MAPK8 (0.81) MAPK8MAPK10IKBKBCHUKCDK2
SCHEMBL8312509 0.68 IKBKB (0.63) MAPK8MAPK10IKBKBCHUKGSK3B
SCHEMBL4903032 0.68 MAPK8 (0.74) MAPK8MAPK10IKBKBCDK2GSK3B
SCHEMBL16404643 0.67 MAPK10 (0.59) MAPK8MAPK10IKBKBCHUKCDK2
SCHEMBL4903328 0.67 MAPK8 (0.81) MAPK8MAPK10IKBKBCDK2GSK3B
SCHEMBL14071733 0.67 MAPK8 (0.61) MAPK8MAPK10IKBKBCHUKCDK2
SCHEMBL8246523 0.67 MAPK8 (1.00) MAPK8MAPK10IKBKBCHUKCDK2
SCHEMBL8312592 0.66 MAPK8 (0.78) MAPK8MAPK10IKBKBCHUKGSK3B

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
US-7442699-B2 Anilinopyrimidine derivatives as IKK inhibitors and compositions and methods related thereto SIGNAL PHARMACEUTICALS, LLC (US) 2008-10-28 US disclosed
US-7429599-B2 Methods for treating or preventing an inflammatory or metabolic condition or inhibiting JNK SIGNAL PHARMACEUTICALS, LLC (US) 2008-09-30 US disclosed