SCHEMBL2550128

SCHEMBL2550128

N#Cc1c(N)ncnc1NCCc1nc2cnccn2c1-c1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 20/20 0.45
▸ PIK3CG P48736 10/20 0.45
▸ PIK3CB P42338 9/20 0.45
▸ PIK3CA P42336 6/20 0.45
▸ PIK3R1 P27986 3/20 0.45
▸ PIK3R2 O00459 1/20 0.39

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
SCHEMBL2548197 0.84 PIK3CD (0.45) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R1
SCHEMBL2576817 0.82 PIK3CD (0.44) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R1
SCHEMBL2507138 0.79 PIK3CD (0.71) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R1
SCHEMBL2509378 0.79 PIK3CD (0.71) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R1
SCHEMBL2550124 0.75 PIK3CD (0.41) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R1
SCHEMBL2548362 0.75 BRAF (0.37) —
SCHEMBL2717991 0.74 PIK3CD (0.43) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R1
SCHEMBL2718760 0.72 PIK3CD (0.43) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R1
SCHEMBL2548473 0.71 PIK3CD (0.64) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R1
SCHEMBL12264096 0.70 CYP2A6 (0.36) —

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-2552908-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES Amgen Inc. (US) 2013-02-06 — — EP disclosed
WO-2011123751-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-10-06 — — WO disclosed
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