SCHEMBL8313286

SCHEMBL8313286

NC(=O)c1ccc(Nc2nccc(-c3ccc([N+](=O)[O-])cc3)n2)cc1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 6/20 0.71
PIK3CA P42336 5/20 0.71
PIK3CB P42338 5/20 0.71
MAPK8 P45983 3/20 0.70
MAPK10 P53779 1/20 0.70
MEN1 O00255 1/20 0.67
KMT2A Q03164 1/20 0.67
PLK1 P53350 1/20 0.63
JAK2 O60674 1/20 0.61
CAMKK2 Q96RR4 2/20 0.59
GSK3B P49841 1/20 0.59
IKBKB O14920 3/20 0.59
CHUK O15111 2/20 0.58
CAMK2D Q13557 3/20 0.56
CDK2 P24941 1/20 0.54
ABL1 P00519 1/20 0.53
BCR P11274 1/20 0.53
PRKCA P17252 1/20 0.53
TSHR P16473 1/20 0.51

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
SCHEMBL7844058 0.87 PIK3CG (0.56) PIK3CGPIK3CAPIK3CBMAPK8MAPK10
SCHEMBL4800404 0.84 MAPK8 (0.83) PIK3CGMAPK8MAPK10JAK2CAMKK2
SCHEMBL13911421 0.83 MAPK8 (0.77) PIK3CGMAPK8MAPK10JAK2CAMKK2
SCHEMBL13911478 0.83 MAPK8 (0.77) PIK3CGMAPK8MAPK10JAK2CAMKK2
SCHEMBL4070306 0.83 MAPK8 (0.77) PIK3CGPIK3CAPIK3CBMAPK8MAPK10
SCHEMBL8312461 0.83 MAPK8 (0.77) PIK3CGPIK3CAPIK3CBMAPK8MAPK10
SCHEMBL8246523 0.83 MAPK8 (1.00) PIK3CGMAPK8MAPK10JAK2CAMKK2
SCHEMBL4903457 0.83 MAPK8 (0.81) PIK3CGMAPK8MAPK10JAK2CAMKK2
SCHEMBL4028080 0.82 IKBKB (0.74) PIK3CGPIK3CAPIK3CBMAPK8MAPK10
SCHEMBL5094295 0.81 PIK3CG (0.47) PIK3CGPIK3CAPIK3CBMAPK8MAPK10

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