SCHEMBL8489646

SCHEMBL8489646

COc1cccc(Nc2nccc(-c3cc[n+]([O-])cc3)n2)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 6/20 0.76
PIK3CA P42336 5/20 0.76
PIK3CB P42338 5/20 0.76
CDK5 Q00535 3/20 0.61
EGFR P00533 1/20 0.60
MTOR P42345 1/20 0.57
SMG1 Q96Q15 1/20 0.57
CDK2 P24941 3/20 0.54
GSK3B P49841 3/20 0.54
DYRK1A Q13627 2/20 0.54
CDK4 P11802 1/20 0.54
PDE4B Q07343 1/20 0.54
MEN1 O00255 1/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
KMT2A Q03164 1/20 0.53
CDK5R1 Q15078 1/20 0.53
ABL1 P00519 2/20 0.53
BCR P11274 2/20 0.53
SYK P43405 3/20 0.52

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
SCHEMBL7464195 0.85 PIK3CG (0.83) PIK3CGPIK3CAPIK3CBCDK5EGFR
SCHEMBL27116598 0.85 PIK3CG (0.83) PIK3CGPIK3CAPIK3CBCDK5EGFR
SCHEMBL1662 0.83 ABL1 (0.77) PIK3CGPIK3CAPIK3CBCDK5EGFR
SCHEMBL5735831 0.82 ABL1 (0.66) PIK3CGPIK3CAPIK3CBCDK5MTOR
SCHEMBL7466208 0.81 PIK3CG (0.72) PIK3CGPIK3CAPIK3CBCDK5EGFR
SCHEMBL2324992 0.81 PIK3CG (0.76) PIK3CGPIK3CAPIK3CBCDK5EGFR
SCHEMBL2942460 0.81 PIK3CG (0.76) PIK3CGPIK3CAPIK3CBCDK5EGFR
SCHEMBL8489648 0.81 PIK3CG (0.76) PIK3CGPIK3CAPIK3CBCDK5EGFR
SCHEMBL7474612 0.81 PIK3CG (0.76) PIK3CGPIK3CAPIK3CBCDK5EGFR
SCHEMBL27115896 0.81 PIK3CG (0.76) PIK3CGPIK3CAPIK3CBCDK5EGFR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999035140-A1 PYRIDINYLPYRIMIDINE AMINES AS IMMUNOGLOBULINE E (IgE) SYNTHESIS INHIBITORS NOVARTIS AG (CH) 1999-07-15 WO disclosed