SCHEMBL8308607

SCHEMBL8308607

NC(=O)c1ccc(Nc2nccc(-c3cc4ccccc4o3)n2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 3/20 0.64
MAPK10 P53779 1/20 0.64
CAMKK2 Q96RR4 4/20 0.54
GSK3B P49841 3/20 0.54
CSNK2A1 P68400 1/20 0.54
PIK3CG P48736 1/20 0.54
GRM4 Q14833 1/20 0.52
IKBKB O14920 2/20 0.52
AURKA O14965 3/20 0.51
CDK2 P24941 2/20 0.51
CDK4 P11802 1/20 0.51
JAK2 O60674 1/20 0.51
AURKB Q96GD4 1/20 0.50
KCNH2 Q12809 1/20 0.48
CHUK O15111 1/20 0.48
IKBKG Q9Y6K9 1/20 0.48
CAMK2D Q13557 2/20 0.48
MKNK1 Q9BUB5 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
SYK P43405 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
SCHEMBL8246523 0.78 MAPK8 (1.00) MAPK8MAPK10CAMKK2GSK3BPIK3CG
SCHEMBL8312854 0.78 MAPK8 (0.76) MAPK8MAPK10CAMKK2GSK3BPIK3CG
SCHEMBL4903032 0.77 MAPK8 (0.74) MAPK8MAPK10CAMKK2GSK3BPIK3CG
Hydrochloric Acid SCHEMBL2200226 0.76 GRM4 (0.65) GRM4CDK2CDC7
SCHEMBL8308064 0.76 IKBKB (0.82) MAPK8MAPK10CAMKK2GSK3BPIK3CG
SCHEMBL4107280 0.74 MAPK8 (0.70) MAPK8MAPK10CAMKK2GSK3BPIK3CG
SCHEMBL4903328 0.74 MAPK8 (0.81) MAPK8MAPK10CAMKK2GSK3BPIK3CG
SCHEMBL4903457 0.73 MAPK8 (0.81) MAPK8MAPK10CAMKK2GSK3BPIK3CG
SCHEMBL4800404 0.72 MAPK8 (0.83) MAPK8MAPK10CAMKK2GSK3BPIK3CG
SCHEMBL8307782 0.72 MAPK8 (0.66) MAPK8MAPK10CAMKK2GSK3BPIK3CG

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 5 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
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