SCHEMBL14021028

SCHEMBL14021028

O=C(Nc1ccc(Cl)cc1)c1ccc(Nc2nccc(-c3ccc(Cl)cc3)n2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.64
PIK3CB P42338 2/20 0.64
PIK3CG P48736 2/20 0.64
CAMK2D Q13557 4/20 0.62
PDGFRB P09619 2/20 0.62
PDGFRA P16234 2/20 0.62
ABL1 P00519 1/20 0.62
BCR P11274 1/20 0.62
IKBKB O14920 1/20 0.61
JAK2 O60674 5/20 0.60
JAK3 P52333 2/20 0.59
MAPK8 P45983 1/20 0.57
MAPK10 P53779 1/20 0.57
PLK1 P53350 1/20 0.56
AURKA O14965 1/20 0.55
HDAC1 Q13547 2/20 0.54
HDAC3 O15379 1/20 0.54
NCOR1 O75376 1/20 0.54
JAK1 P23458 1/20 0.54
TYK2 P29597 1/20 0.54

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
SCHEMBL14021033 0.95 AURKA (0.62) PIK3CAPIK3CBPIK3CGCAMK2DPDGFRB
SCHEMBL14021027 0.95 CAMK2D (0.67) PIK3CAPIK3CBPIK3CGCAMK2DPDGFRB
SCHEMBL14021038 0.95 CAMK2D (0.71) PIK3CAPIK3CBPIK3CGCAMK2DPDGFRB
SCHEMBL14021032 0.94 PDGFRA (0.62) PIK3CAPIK3CBPIK3CGCAMK2DPDGFRB
SCHEMBL4905540 0.94 ABL1 (0.62) PIK3CAPIK3CBPIK3CGCAMK2DPDGFRB
SCHEMBL14021025 0.92 PDGFRA (0.58) PIK3CAPIK3CBPIK3CGCAMK2DPDGFRB
SCHEMBL14021041 0.91 ABL1 (0.57) PIK3CAPIK3CBPIK3CGCAMK2DPDGFRB
SCHEMBL14021026 0.90 PDGFRB (0.63) PIK3CAPIK3CBPIK3CGCAMK2DPDGFRB
SCHEMBL14021029 0.90 CAMK2D (0.71) PIK3CAPIK3CBPIK3CGCAMK2DPDGFRB
SCHEMBL4905733 0.90 PDGFRA (0.77) PDGFRBPDGFRAABL1BCRHDAC1

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