SCHEMBL5823745

SCHEMBL5823745

COc1cc(-c2nn(C3CCC(N4CCN(C)CC4)CC3)c3cncc(N)c23)ccc1N

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SRC P12931 19/20 0.49
LCK P06239 16/20 0.49
TEK Q02763 16/20 0.49
KDR P35968 8/20 0.49
PRKDC P78527 4/20 0.49
PIK3CD O00329 3/20 0.49
ABL1 P00519 3/20 0.49
EGFR P00533 3/20 0.49
HCK P08631 3/20 0.49
PIK3CA P42336 3/20 0.49
PIK3CB P42338 3/20 0.49
MTOR P42345 3/20 0.49
PIK3CG P48736 3/20 0.49
EPHB4 P54760 3/20 0.49
PI4KB Q9UBF8 3/20 0.49
FYN P06241 1/20 0.47
LIMK1 P53667 1/20 0.45
LIMK2 P53671 1/20 0.45
BTK Q06187 1/20 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
SCHEMBL5819209 0.94 SRC (0.49) SRCLCKTEKKDRPRKDC
SCHEMBL5821051 0.92 SRC (0.52) SRCLCKTEKKDRPRKDC
SCHEMBL6273323 0.87 EGFR (0.45) SRCLCKTEKKDREGFR
SCHEMBL5819470 0.85 SRC (0.56) SRCLCKTEKKDRPRKDC
SCHEMBL6693525 0.82 SRC (0.44) SRCLCKTEKKDRPRKDC
SCHEMBL5820135 0.82 LCK (0.45) SRCLCKTEKKDREGFR
SCHEMBL6671487 0.81 LCK (0.53) SRCLCKTEKKDRABL1
SCHEMBL6667380 0.81 BTK (0.66) SRCLCKTEKKDRABL1
SCHEMBL6273230 0.81 LCK (0.45) SRCLCKTEKKDREGFR
SCHEMBL4826132 0.80 SRC (0.77) SRCLCKTEKKDRPRKDC

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 9 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-1212327-B8 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO KG (DE) 2004-02-25 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
EP-1212327-A2 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS BASF AKTIENGESELLSCHAFT (DE) 2002-06-12 EP disclosed
WO-2001019829-A2 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS BASF AKTIENGESELLSCHAFT (DE) 2001-03-22 WO disclosed