SCHEMBL755340

SCHEMBL755340

COCCOc1cnnc(Nc2cc(-c3c(-c4nc(N)ncc4N)nc4cccnn34)nc(C)n2)c1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 11/20 0.54
MTOR P42345 11/20 0.54
MAPK13 O15264 1/20 0.32
MAPK12 P53778 1/20 0.32
MAPK11 Q15759 1/20 0.32
MAPK14 Q16539 1/20 0.32
CDK2 P24941 1/20 0.30
MAPKAPK2 P49137 1/20 0.30

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
SCHEMBL753916 0.85 PIK3CA (0.61) PIK3CAMTORCDK2MAPKAPK2
SCHEMBL750322 0.80 PIK3CA (0.64) PIK3CAMTORCDK2MAPKAPK2
SCHEMBL11026828 0.79 PIK3CA (0.51) PIK3CAMTORCDK2MAPKAPK2
SCHEMBL11026838 0.79 PIK3CA (0.51) PIK3CAMTORCDK2MAPKAPK2
SCHEMBL752881 0.79 PIK3CA (0.60) PIK3CAMTORCDK2MAPKAPK2
SCHEMBL755032 0.78 PIK3CA (0.58) PIK3CAMTORCDK2MAPKAPK2
SCHEMBL11030417 0.76 PIK3CA (0.56) PIK3CAMTORCDK2MAPKAPK2
SCHEMBL11025368 0.70 PIK3CA (0.75) PIK3CAMTOR
SCHEMBL753636 0.69 PIK3CA (0.61) PIK3CAMTOR
SCHEMBL2773478 0.68 PIK3CA (0.47) PIK3CAMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2430013-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS Amgen, Inc (US) 2012-03-21 EP claimed
WO-2010132598-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC. (US) 2010-11-18 WO claimed