SCHEMBL14021031

SCHEMBL14021031

O=C(Nc1ccccn1)c1ccc(Nc2nccc(-c3ccc(Cl)cc3)n2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 4/20 0.61
PIK3CA P42336 2/20 0.57
PIK3CB P42338 2/20 0.57
PIK3CG P48736 2/20 0.57
MAPK8 P45983 1/20 0.57
MAPK10 P53779 1/20 0.57
PDGFRB P09619 2/20 0.56
PDGFRA P16234 2/20 0.56
ABL1 P00519 1/20 0.56
BCR P11274 1/20 0.56
JAK2 O60674 3/20 0.56
JAK3 P52333 1/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
IKBKB O14920 2/20 0.55
HDAC1 Q13547 1/20 0.54
PLK1 P53350 1/20 0.53

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
SCHEMBL14021038 0.89 CAMK2D (0.71) CAMK2DPIK3CAPIK3CBPIK3CGMAPK8
SCHEMBL14021028 0.89 PIK3CA (0.64) CAMK2DPIK3CAPIK3CBPIK3CGMAPK8
SCHEMBL4899326 0.84 PDGFRB (0.56) CAMK2DMAPK8MAPK10PDGFRBPDGFRA
SCHEMBL14021027 0.84 CAMK2D (0.67) CAMK2DPIK3CAPIK3CBPIK3CGMAPK8
SCHEMBL14021033 0.84 AURKA (0.62) CAMK2DPIK3CAPIK3CBPIK3CGMAPK8
SCHEMBL14021029 0.84 CAMK2D (0.71) CAMK2DPIK3CAPIK3CBPIK3CGPDGFRB
SCHEMBL14021032 0.83 PDGFRA (0.62) CAMK2DPIK3CAPIK3CBPIK3CGMAPK8
SCHEMBL4905540 0.83 ABL1 (0.62) CAMK2DPIK3CAPIK3CBPIK3CGMAPK8
SCHEMBL14021024 0.83 PIK3CA (0.63) CAMK2DPIK3CAPIK3CBPIK3CGMAPK8
SCHEMBL14021206 0.82 KDM4E (0.55) CAMK2DPIK3CAPIK3CBPIK3CGMAPK8

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 4 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