SCHEMBL8314825

SCHEMBL8314825

CN1CCN(C(=O)c2ccc(Nc3nccc(-c4ccc(S(=O)(=O)c5ccccc5)cc4)n3)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.57
SMG1 Q96Q15 1/20 0.57
CDK1 P06493 1/20 0.56
CDK2 P24941 1/20 0.56
IKBKB O14920 7/20 0.54
CHUK O15111 5/20 0.54
CAMK2D Q13557 2/20 0.53
JAK2 O60674 4/20 0.53
IKBKG Q9Y6K9 1/20 0.52
MAPK8 P45983 1/20 0.52
MAPK10 P53779 1/20 0.52
JAK3 P52333 2/20 0.51
KDR P35968 1/20 0.50
AURKA O14965 1/20 0.49
LMNA P02545 1/20 0.49

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
SCHEMBL8314809 0.93 MTOR (0.57) MTORSMG1CDK1CDK2IKBKB
SCHEMBL14020977 0.89 JAK2 (0.58) MTORSMG1IKBKBCHUKCAMK2D
SCHEMBL14063912 0.89 IKBKB (0.64) MTORSMG1IKBKBCHUKCAMK2D
SCHEMBL8314813 0.88 MTOR (0.54) MTORSMG1IKBKBCHUKCAMK2D
SCHEMBL8311095 0.87 MTOR (0.50) MTORSMG1CDK1CDK2IKBKB
SCHEMBL14063914 0.87 SYK (0.52) MTORSMG1CDK1CDK2IKBKB
SCHEMBL14021571 0.85 CDK1 (0.66) CDK1CDK2IKBKBCHUKCAMK2D
SCHEMBL8311426 0.85 IKBKB (0.56) MTORSMG1CDK1CDK2IKBKB
SCHEMBL8308666 0.85 IKBKB (0.65) CDK1CDK2IKBKBCHUKJAK2
SCHEMBL8312148 0.84 CDK1 (0.62) CDK1CDK2IKBKBCHUKCAMK2D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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