SCHEMBL7811449

SCHEMBL7811449

Clc1ccc(Cl)c(Nc2nccc(-c3ccnc(Cl)c3)n2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 10/20 0.64
PIK3CA P42336 9/20 0.64
PIK3CB P42338 9/20 0.64
PLK1 P53350 1/20 0.53
RET P07949 1/20 0.46
CAMK2D Q13557 2/20 0.46
CLK1 P49759 1/20 0.44
DYRK1A Q13627 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
DYRK1B Q9Y463 1/20 0.44
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44
ABL1 P00519 1/20 0.44
BCR P11274 1/20 0.44
PRKCA P17252 1/20 0.44
PRKCD Q05655 1/20 0.44
SMG1 Q96Q15 1/20 0.44
CSNK2A1 P68400 1/20 0.43
CDK2 P24941 2/20 0.43
PIM1 P11309 1/20 0.43

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
Water SCHEMBL7817050 0.97 PIK3CG (0.62) PIK3CGPIK3CAPIK3CBPLK1RET
SCHEMBL7813159 0.87 PIK3CG (0.57) PIK3CGPIK3CAPIK3CBPLK1CAMK2D
Water SCHEMBL7809660 0.85 PIK3CG (0.55) PIK3CGPIK3CAPIK3CBPLK1CAMK2D
SCHEMBL7809826 0.84 PIK3CG (0.57) PIK3CGPIK3CAPIK3CBPLK1DYRK1A
Water SCHEMBL7816986 0.82 PIK3CG (0.55) PIK3CGPIK3CAPIK3CBPLK1DYRK1A
SCHEMBL2330123 0.79 PLK1 (0.56) PIK3CGPIK3CAPIK3CBPLK1CAMK2D
SCHEMBL3513778 0.78 CAMK2D (0.73) PIK3CGPIK3CAPIK3CBPLK1CAMK2D
SCHEMBL7809747 0.78 CDK1 (0.71) PIK3CGPIK3CAPIK3CBPLK1CAMK2D
SCHEMBL7817223 0.74 CDK1 (0.66) PIK3CGPIK3CAPIK3CBPLK1CAMK2D
SCHEMBL7765087 0.74 HDAC3 (0.56) PIK3CGPIK3CAPIK3CBRET

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
EP-0672041-B1 PHARMACOLOGICALLY ACTIVE PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF NOVARTIS AG (CH) 2001-11-14 EP disclosed
US-5728708-A ANTITUMOR AGENTS NOVARTIS CORPORATION (US) 1998-03-17 US disclosed
EP-0672041-A1 PHARMACOLOGICALLY ACTIVE PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Novartis AG (CH) 1995-09-20 EP disclosed
WO-1995009853-A1 PHARMACOLOGICALLY ACTIVE PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF CIBA-GEIGY AG (CH) 1995-04-13 WO disclosed