SCHEMBL11445170

SCHEMBL11445170

Cc1cccc(-c2cnc3c(N)ncnc3n2)c1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 6/20 0.61
ADK P55263 3/20 0.58
BCHE P06276 1/20 0.53
ACHE P22303 1/20 0.53
PIK3CA P42336 2/20 0.50
PIK3CB P42338 2/20 0.50
PIK3CD O00329 1/20 0.50
PRKDC P78527 1/20 0.50
ATR Q13535 2/20 0.49
MAP4K4 O95819 1/20 0.48
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
PPARG P37231 1/20 0.46
MCL1 Q07820 1/20 0.46
NR2E3 Q9Y5X4 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
HDAC6 Q9UBN7 1/20 0.44

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
SCHEMBL11467366 0.83 BCHE (0.53) PIK3CGADKBCHEACHEPIK3CA
SCHEMBL11446157 0.83 MAP4K4 (0.61) PIK3CGADKATRMAP4K4
SCHEMBL11453447 0.82 ADK (0.72) PIK3CGADKPIK3CAPIK3CBPIK3CD
SCHEMBL11446163 0.82 ADK (0.67) PIK3CGADKKDM4EPOLBPPARG
SCHEMBL22744042 0.78 PIK3CG (0.56) PIK3CGBCHEACHEPIK3CAPIK3CB
SCHEMBL3745255 0.76 PIK3CG (1.00) PIK3CGADKPIK3CAPIK3CBHDAC6
SCHEMBL22744495 0.76 MAP4K4 (0.49) PIK3CGPIK3CAPIK3CBPIK3CDPRKDC
SCHEMBL18135276 0.76 MAP4K4 (0.72) MAP4K4
SCHEMBL22715806 0.75 PIK3CG (0.61) PIK3CGADKPIK3CAPIK3CBMAP4K4
SCHEMBL29439870 0.75 PIK3CG (0.61) PIK3CGADKPIK3CAPIK3CBMAP4K4

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
US-4187307-A 4-AMINOPTERIDINES ABBOTT LABORATORIES (US) 1980-02-05 US disclosed