SCHEMBL8307782

SCHEMBL8307782

NC(=O)c1ccc(Nc2nccc(-c3ccc[nH]3)n2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 3/20 0.66
MAPK10 P53779 1/20 0.66
GSK3B P49841 2/20 0.54
CDK2 P24941 2/20 0.54
CDK4 P11802 1/20 0.54
CAMKK2 Q96RR4 2/20 0.53
PIK3CG P48736 1/20 0.53
IKBKB O14920 3/20 0.53
AURKA O14965 3/20 0.52
KCNH2 Q12809 1/20 0.52
JAK2 O60674 1/20 0.52
SYK P43405 1/20 0.52
AURKB Q96GD4 1/20 0.51
CDC7 O00311 1/20 0.51
CHUK O15111 2/20 0.50
CAMK2D Q13557 2/20 0.49
MKNK1 Q9BUB5 1/20 0.48
MKNK2 Q9HBH9 1/20 0.48
ACVR1 Q04771 1/20 0.47
IKBKG Q9Y6K9 1/20 0.47

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
SCHEMBL7463899 0.82 SYK (0.57) MAPK8MAPK10GSK3BCDK2CDK4
SCHEMBL8246523 0.80 MAPK8 (1.00) MAPK8MAPK10GSK3BCDK2CDK4
SCHEMBL4903032 0.79 MAPK8 (0.74) MAPK8MAPK10GSK3BCDK2CDK4
SCHEMBL7467422 0.78 SYK (0.53) MAPK10CDK2CDK4IKBKBAURKA
SCHEMBL4903328 0.78 MAPK8 (0.81) MAPK8MAPK10GSK3BCDK2CDK4
SCHEMBL8312854 0.77 MAPK8 (0.76) MAPK8MAPK10GSK3BCDK2CDK4
SCHEMBL4903457 0.77 MAPK8 (0.81) MAPK8MAPK10GSK3BCDK2CDK4
SCHEMBL4560584 0.77 MAPK8 (0.64) MAPK8MAPK10GSK3BCDK2CDK4
SCHEMBL4800404 0.76 MAPK8 (0.83) MAPK8MAPK10GSK3BCAMKK2PIK3CG
SCHEMBL13590740 0.76 KDM4C (0.44) MAPK8MAPK10IKBKBCHUK

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 4 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-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
WO-2004084901-A1 METHODS FOR TREATING OR PREVENTING AN INFLAMMATORY OR METABOLIC CONDITION BY INHIBITING JNK SIGNAL PHARMACEUTICALS, LLC (US) 2004-10-07 WO disclosed