SCHEMBL8312801

SCHEMBL8312801

CCOOCc1ccc(-c2ccnc(Nc3ccc(C(N)=O)cc3)n2)cc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 3/20 0.64
MAPK10 P53779 1/20 0.64
IKBKB O14920 3/20 0.56
JAK2 O60674 4/20 0.56
CAMKK2 Q96RR4 5/20 0.54
PIK3CG P48736 2/20 0.54
GSK3B P49841 2/20 0.54
CHUK O15111 1/20 0.52
CAMK2D Q13557 4/20 0.51
JAK3 P52333 3/20 0.50
ACVR1 Q04771 1/20 0.49
CDK2 P24941 1/20 0.48
KCNH2 Q12809 1/20 0.48
SYK P43405 1/20 0.47

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
SCHEMBL4071652 0.84 MAPK8 (0.67) MAPK8MAPK10IKBKBJAK2CAMKK2
SCHEMBL8312464 0.83 MAPK8 (0.66) MAPK8MAPK10IKBKBJAK2CAMKK2
SCHEMBL13911478 0.81 MAPK8 (0.77) MAPK8MAPK10IKBKBJAK2CAMKK2
SCHEMBL13911421 0.81 MAPK8 (0.77) MAPK8MAPK10IKBKBJAK2CAMKK2
SCHEMBL14021002 0.81 MAPK8 (0.66) MAPK8MAPK10IKBKBJAK2CAMKK2
SCHEMBL14020971 0.81 MAPK8 (0.63) MAPK8MAPK10IKBKBJAK2CAMKK2
SCHEMBL4800404 0.80 MAPK8 (0.83) MAPK8MAPK10IKBKBJAK2CAMKK2
SCHEMBL8312461 0.79 MAPK8 (0.77) MAPK8MAPK10IKBKBJAK2CAMKK2
SCHEMBL4070306 0.79 MAPK8 (0.77) MAPK8MAPK10IKBKBJAK2CAMKK2
SCHEMBL8246523 0.78 MAPK8 (1.00) MAPK8MAPK10IKBKBJAK2CAMKK2

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 2 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
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