SCHEMBL8312148

SCHEMBL8312148

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.62
CDK2 P24941 1/20 0.62
MAPKAPK2 P49137 1/20 0.61
JAK2 O60674 5/20 0.58
POLB P06746 1/20 0.56
JAK3 P52333 1/20 0.56
MKNK1 Q9BUB5 1/20 0.56
MKNK2 Q9HBH9 1/20 0.56
IKBKB O14920 3/20 0.55
PIK3CA P42336 2/20 0.55
PIK3CB P42338 2/20 0.55
PIK3CG P48736 2/20 0.55
AIMP2 Q13155 1/20 0.53
CHUK O15111 1/20 0.52
PDGFRB P09619 1/20 0.52
SRC P12931 1/20 0.52
KMT2A Q03164 1/20 0.52
CAMK2D Q13557 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC6 Q9UBN7 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
SCHEMBL1512786 0.92 PIK3CA (0.55) CDK1CDK2MAPKAPK2JAK2JAK3
SCHEMBL8312503 0.91 IKBKB (0.56) CDK1CDK2MAPKAPK2JAK2JAK3
SCHEMBL14063828 0.91 CAMK2D (0.61) CDK1CDK2JAK2JAK3IKBKB
SCHEMBL14021571 0.91 CDK1 (0.66) CDK1CDK2JAK2JAK3MKNK1
SCHEMBL14021219 0.90 PIK3CA (0.58) JAK2JAK3IKBKBPIK3CAPIK3CB
SCHEMBL14021629 0.90 JAK2 (0.54) CDK1CDK2MAPKAPK2JAK2JAK3
SCHEMBL14021190 0.89 MTOR (0.60) JAK2JAK3IKBKBPIK3CAPIK3CB
SCHEMBL11924733 0.89 MTOR (0.60) JAK2JAK3IKBKBPIK3CAPIK3CB
SCHEMBL8311018 0.89 JAK2 (0.61) CDK1CDK2MAPKAPK2JAK2JAK3
SCHEMBL14021253 0.89 IKBKB (0.52) CDK1CDK2MAPKAPK2JAK2JAK3

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