SCHEMBL8312461

SCHEMBL8312461

NC(=O)c1ccc(Nc2nccc(-c3ccc(Br)cc3)n2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 3/20 0.77
MAPK10 P53779 1/20 0.77
PIK3CG P48736 5/20 0.66
PIK3CA P42336 3/20 0.66
PIK3CB P42338 2/20 0.66
JAK2 O60674 3/20 0.65
CAMKK2 Q96RR4 5/20 0.64
GSK3B P49841 3/20 0.64
IKBKB O14920 2/20 0.63
CAMK2D Q13557 4/20 0.61
CHUK O15111 1/20 0.60
JAK3 P52333 2/20 0.54
CDK2 P24941 2/20 0.54
KCNH2 Q12809 1/20 0.54
CDK4 P11802 1/20 0.54
HDAC3 O15379 1/20 0.53
NCOR1 O75376 1/20 0.53
JAK1 P23458 1/20 0.53
TYK2 P29597 1/20 0.53
HDAC1 Q13547 1/20 0.53

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
SCHEMBL4800404 0.88 MAPK8 (0.83) MAPK8MAPK10PIK3CGJAK2CAMKK2
SCHEMBL4070306 0.87 MAPK8 (0.77) MAPK8MAPK10PIK3CGPIK3CAPIK3CB
SCHEMBL13911421 0.87 MAPK8 (0.77) MAPK8MAPK10PIK3CGJAK2CAMKK2
SCHEMBL13911478 0.87 MAPK8 (0.77) MAPK8MAPK10PIK3CGJAK2CAMKK2
SCHEMBL4903457 0.87 MAPK8 (0.81) MAPK8MAPK10PIK3CGJAK2CAMKK2
SCHEMBL8246523 0.87 MAPK8 (1.00) MAPK8MAPK10PIK3CGJAK2CAMKK2
SCHEMBL8314313 0.84 MAPK8 (0.72) MAPK8MAPK10PIK3CGJAK2CAMKK2
SCHEMBL14020940 0.84 MAPK8 (0.72) MAPK8MAPK10PIK3CGJAK2CAMKK2
SCHEMBL14021043 0.84 PIK3CG (0.62) MAPK8MAPK10PIK3CGPIK3CAPIK3CB
SCHEMBL8313286 0.83 PIK3CG (0.71) MAPK8MAPK10PIK3CGPIK3CAPIK3CB

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1349841-B1 ANILINOPYRIMIDINE DERIVATIVES AS IKK INHIBITORS AND COMPOSITIONS AND METHODS RELATED THERETO SIGNAL PHARM LLC (US) 2009-12-02 EP 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-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