SCHEMBL5822010

SCHEMBL5822010

CC(C)(C)OC(=O)N1CCC(n2nc(-c3ccc(N)cc3)c3c(N)nccc32)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 5/20 0.48
EGFR P00533 4/20 0.48
KDR P35968 3/20 0.48
PIK3CA P42336 2/20 0.48
MTOR P42345 2/20 0.48
PIK3CG P48736 2/20 0.48
ABL1 P00519 2/20 0.48
PIK3CD O00329 1/20 0.48
HCK P08631 1/20 0.48
PIK3CB P42338 1/20 0.48
EPHB4 P54760 1/20 0.48
PRKDC P78527 1/20 0.48
PI4KB Q9UBF8 1/20 0.48
BTK Q06187 5/20 0.47
ATR Q13535 1/20 0.47
AURKB Q96GD4 1/20 0.47
TNK2 Q07912 1/20 0.45
GPR119 Q8TDV5 3/20 0.44
TGFBR1 P36897 1/20 0.44
RET P07949 2/20 0.43

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
SCHEMBL2365351 0.94 BTK (0.53) SRCEGFRKDRPIK3CAMTOR
SCHEMBL6220508 0.87 SRC (0.51) SRCEGFRKDRPIK3CAMTOR
SCHEMBL4820128 0.86 SRC (0.62) SRCEGFRKDRPIK3CAMTOR
SCHEMBL5820596 0.85 SRC (0.44) SRCEGFRKDRPIK3CAMTOR
SCHEMBL6277242 0.84 PIK3CA (0.48) SRCEGFRKDRPIK3CAMTOR
SCHEMBL6641514 0.83 BTK (0.56) SRCEGFRKDRBTKTNK2
SCHEMBL6274140 0.82 SRC (0.46) SRCEGFRKDRPIK3CAMTOR
SCHEMBL1317965 0.80 SRC (0.61) SRCEGFRKDRPIK3CAMTOR
SCHEMBL1319872 0.80 SRC (0.61) SRCEGFRKDRPIK3CAMTOR
SCHEMBL1317966 0.80 SRC (0.61) SRCEGFRKDRPIK3CAMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1385524-A4 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO KG (DE) 2006-02-01 EP disclosed
EP-1379528-A4 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH (DE) 2005-12-07 EP disclosed
EP-1385524-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS Abbott GmbH & Co. KG (DE) 2004-02-04 EP disclosed
EP-1379528-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GmbH (DE) 2004-01-14 EP disclosed
WO-2002080926-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO. KG (DE) 2002-10-17 WO disclosed
WO-2002076986-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO. KG (DE) 2002-10-03 WO disclosed