SCHEMBL8311018

SCHEMBL8311018

CCN1CCN(C(=O)c2ccc(Nc3nccc(-c4ccc(Cl)cc4)n3)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 6/20 0.61
▸ JAK3 P52333 4/20 0.61
▸ DYRK2 Q92630 1/20 0.56
▸ PIK3CA P42336 2/20 0.52
▸ PIK3CB P42338 2/20 0.52
▸ PIK3CG P48736 2/20 0.52
▸ SYK P43405 1/20 0.51
▸ IKBKB O14920 3/20 0.50
▸ CHUK O15111 2/20 0.50
▸ CDK1 P06493 1/20 0.50
▸ CDK2 P24941 1/20 0.50
▸ MAPKAPK2 P49137 1/20 0.49
▸ AIMP2 Q13155 1/20 0.49
▸ CAMK2D Q13557 2/20 0.48
▸ IKBKG Q9Y6K9 1/20 0.48
▸ HDAC3 O15379 1/20 0.48
▸ NCOR1 O75376 1/20 0.48
▸ JAK1 P23458 1/20 0.48
▸ TYK2 P29597 1/20 0.48
▸ HDAC1 Q13547 1/20 0.48

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
SCHEMBL14021629 0.93 JAK2 (0.54) JAK2JAK3DYRK2PIK3CAPIK3CB
SCHEMBL13590765 0.90 JAK2 (0.51) JAK2JAK3PIK3CAPIK3CBPIK3CG
SCHEMBL13911604 0.90 JAK2 (0.59) JAK2JAK3DYRK2SYKIKBKB
SCHEMBL14021080 0.90 PIK3CA (0.52) JAK2JAK3PIK3CAPIK3CBPIK3CG
SCHEMBL4392408 0.89 PIK3CA (0.51) JAK2JAK3PIK3CAPIK3CBPIK3CG
SCHEMBL4377094 0.89 JAK2 (0.61) JAK2JAK3DYRK2SYKIKBKB
SCHEMBL3049760 0.89 SYK (0.51) JAK2JAK3PIK3CAPIK3CBPIK3CG
SCHEMBL4063691 0.89 JAK2 (0.52) JAK2JAK3DYRK2PIK3CAPIK3CB
SCHEMBL8312148 0.89 CDK1 (0.62) JAK2JAK3PIK3CAPIK3CBPIK3CG
SCHEMBL1512786 0.89 PIK3CA (0.55) JAK2JAK3PIK3CAPIK3CBPIK3CG

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
Send feedback