SCHEMBL8312464

SCHEMBL8312464

CCCCc1ccc(-c2ccnc(Nc3ccc(C(N)=O)cc3)n2)cc1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 3/20 0.66
MAPK10 P53779 1/20 0.66
IKBKB O14920 4/20 0.58
CHUK O15111 2/20 0.58
JAK2 O60674 3/20 0.58
CAMKK2 Q96RR4 5/20 0.56
GSK3B P49841 3/20 0.56
PIK3CG P48736 2/20 0.56
CAMK2D Q13557 4/20 0.53
ACVR1 Q04771 1/20 0.52
JAK3 P52333 2/20 0.50
CDK2 P24941 2/20 0.50
KCNH2 Q12809 1/20 0.50
CDK4 P11802 1/20 0.48

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
SCHEMBL14021002 0.87 MAPK8 (0.66) MAPK8MAPK10IKBKBCHUKJAK2
SCHEMBL8312801 0.83 MAPK8 (0.64) MAPK8MAPK10IKBKBCHUKJAK2
SCHEMBL13911421 0.83 MAPK8 (0.77) MAPK8MAPK10IKBKBCHUKJAK2
SCHEMBL13911478 0.83 MAPK8 (0.77) MAPK8MAPK10IKBKBCHUKJAK2
SCHEMBL8312458 0.82 IKBKB (0.58) MAPK8IKBKBCHUKJAK2GSK3B
SCHEMBL4071652 0.81 MAPK8 (0.67) MAPK8MAPK10IKBKBCHUKJAK2
SCHEMBL4800404 0.81 MAPK8 (0.83) MAPK8MAPK10IKBKBCHUKJAK2
SCHEMBL8312461 0.80 MAPK8 (0.77) MAPK8MAPK10IKBKBCHUKJAK2
SCHEMBL4070306 0.80 MAPK8 (0.77) MAPK8MAPK10IKBKBCHUKJAK2
SCHEMBL8246523 0.80 MAPK8 (1.00) MAPK8MAPK10IKBKBCHUKJAK2

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