SCHEMBL7466253

SCHEMBL7466253

COc1cccc(Nc2nccc(-c3ccccn3)n2)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 5/20 0.71
PIK3CA P42336 4/20 0.71
PIK3CB P42338 4/20 0.71
EGFR P00533 1/20 0.66
ABL1 P00519 1/20 0.60
BCR P11274 1/20 0.60
PRKCA P17252 1/20 0.60
GSK3B P49841 4/20 0.58
CDK2 P24941 3/20 0.58
DYRK1A Q13627 2/20 0.58
CDK4 P11802 1/20 0.58
CDK5 Q00535 2/20 0.57
IGF1R P08069 1/20 0.57
ABCB1 P08183 1/20 0.57
ABCG2 Q9UNQ0 1/20 0.57
SYK P43405 4/20 0.55
JAK2 O60674 2/20 0.55
CDC7 O00311 1/20 0.55
PLK4 O00444 1/20 0.55
IKBKB O14920 1/20 0.55

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
SCHEMBL7469378 0.85 PIK3CA (0.62) PIK3CGPIK3CAPIK3CBCDK2CDK5
SCHEMBL27116598 0.84 PIK3CG (0.83) PIK3CGPIK3CAPIK3CBEGFRGSK3B
SCHEMBL7471678 0.83 ABL1 (0.64) PIK3CGPIK3CAPIK3CBABL1BCR
SCHEMBL27116184 0.83 SYK (0.65) PIK3CGPIK3CAPIK3CBEGFRCDK5
SCHEMBL27115896 0.82 PIK3CG (0.76) PIK3CGPIK3CAPIK3CBEGFRABL1
SCHEMBL7464195 0.82 PIK3CG (0.83) PIK3CGPIK3CAPIK3CBEGFRABL1
SCHEMBL2284267 0.82 EGFR (0.72) PIK3CGPIK3CAPIK3CBEGFRCDK2
SCHEMBL4900091 0.81 MEN1 (0.60) EGFRABL1BCRPRKCAJAK2
SCHEMBL4899553 0.81 ABL1 (0.61) PIK3CGPIK3CAPIK3CBEGFRABL1
SCHEMBL5999614 0.81 PIK3CG (0.71) PIK3CGPIK3CAPIK3CBEGFRABL1

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
EP-0233461-B2 4,5,6-Substituted-2-pyrimidinamines AMERICAN CYANAMID CO (US) 2002-05-29 EP disclosed