SCHEMBL5823904

SCHEMBL5823904

COc1cc(-c2nn(CC3(O)CCN(C(=O)OC(C)(C)C)CC3)c3ccnc(N)c23)ccc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 2/20 0.45
ABL1 P00519 10/20 0.42
SRC P12931 6/20 0.42
TGFBR1 P36897 2/20 0.41
PTK6 Q13882 6/20 0.40
HCK P08631 3/20 0.40
FYN P06241 1/20 0.40
FGFR1 P11362 1/20 0.39
FGFR2 P21802 1/20 0.39
FGFR3 P22607 1/20 0.39
PIK3CD O00329 3/20 0.38
EGFR P00533 3/20 0.38
KDR P35968 3/20 0.38
PIK3CA P42336 3/20 0.38
PIK3CG P48736 3/20 0.38
PRKDC P78527 3/20 0.38
PI4KB Q9UBF8 3/20 0.38
BACE1 P56817 1/20 0.38
PIK3CB P42338 2/20 0.37
MTOR P42345 2/20 0.37

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
SCHEMBL5823902 0.88 ABL1 (0.54) ABL1SRCTGFBR1PTK6HCK
SCHEMBL6220508 0.81 SRC (0.51) CFTRABL1SRCTGFBR1PTK6
SCHEMBL7138358 0.77 ABL1 (0.52) ABL1SRCPTK6HCKFYN
SCHEMBL6692919 0.73 SRC (0.45) ABL1SRCPTK6HCKFYN
SCHEMBL5801455 0.73 SRC (0.59) ABL1SRCTGFBR1PTK6HCK
SCHEMBL5802027 0.73 SRC (0.54) ABL1SRCTGFBR1PTK6HCK
SCHEMBL4823038 0.71 KDR (0.70) ABL1SRCTGFBR1HCKFGFR1
SCHEMBL5822930 0.69 SRC (0.51) ABL1SRCHCKPIK3CDEGFR
SCHEMBL519566 0.69 KDM4E (0.44) CFTRBACE1
SCHEMBL5822010 0.68 SRC (0.48) ABL1SRCTGFBR1HCKPIK3CD

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 3 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-1385524-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS Abbott GmbH & Co. KG (DE) 2004-02-04 EP disclosed
WO-2002080926-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO. KG (DE) 2002-10-17 WO disclosed