SCHEMBL8312592

SCHEMBL8312592

NC(=O)c1ccc(Nc2nccc(-c3ccc(S(=O)(=O)c4ccccc4)cc3)n2)cc1

nearest known ligand 0.78

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 3/20 0.78
MAPK10 P53779 1/20 0.78
CAMKK2 Q96RR4 5/20 0.66
GSK3B P49841 3/20 0.66
PIK3CG P48736 2/20 0.66
IKBKB O14920 8/20 0.64
CHUK O15111 1/20 0.64
CAMK2D Q13557 3/20 0.63
JAK2 O60674 2/20 0.59
JAK3 P52333 1/20 0.57
DKK1 O94907 1/20 0.55

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
SCHEMBL4073695 0.92 MAPK8 (0.65) MAPK8MAPK10CAMKK2GSK3BPIK3CG
SCHEMBL4073555 0.91 MAPK8 (0.67) MAPK8MAPK10CAMKK2GSK3BPIK3CG
SCHEMBL4064743 0.90 IKBKB (0.70) MAPK8MAPK10CAMKK2GSK3BPIK3CG
SCHEMBL4834740 0.89 MAPK8 (0.69) MAPK8MAPK10CAMKK2GSK3BPIK3CG
SCHEMBL13911505 0.89 IKBKB (0.64) MAPK8MAPK10CAMKK2GSK3BPIK3CG
SCHEMBL8246523 0.88 MAPK8 (1.00) MAPK8MAPK10CAMKK2GSK3BPIK3CG
SCHEMBL14021411 0.86 CAMK2D (0.60) MAPK8MAPK10CAMKK2GSK3BPIK3CG
SCHEMBL4800404 0.85 MAPK8 (0.83) MAPK8MAPK10CAMKK2GSK3BPIK3CG
SCHEMBL14020959 0.83 MAPK8 (0.80) MAPK8MAPK10CAMKK2GSK3BPIK3CG
SCHEMBL8312461 0.81 MAPK8 (0.77) 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 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