SCHEMBL5819558

SCHEMBL5819558

CN1CCN(C2CCC(n3nc(-c4ccc(N)cc4)c4c(N)nccc43)CC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LCK P06239 11/20 0.56
SRC P12931 11/20 0.56
TEK Q02763 11/20 0.56
KDR P35968 4/20 0.56
BTK Q06187 2/20 0.56
EGFR P00533 7/20 0.47
ERBB2 P04626 7/20 0.47
IGF1R P08069 7/20 0.47
ERBB3 P21860 7/20 0.47
ERBB4 Q15303 7/20 0.47
NUDT14 O95848 1/20 0.45
NUDT5 Q9UKK9 1/20 0.45
FYN P06241 1/20 0.42
RET P07949 1/20 0.42

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
SCHEMBL6247967 0.89 LCK (0.52) LCKSRCTEKKDRBTK
SCHEMBL23997221 0.88 RET (0.44) LCKSRCTEKKDRBTK
SCHEMBL30320518 0.88 RET (0.44) LCKSRCTEKKDRBTK
SCHEMBL23239685 0.87 BTK (0.75) LCKSRCTEKKDRBTK
SCHEMBL29844235 0.87 BTK (0.75) LCKSRCTEKKDRBTK
SCHEMBL23217530 0.87 BTK (0.75) LCKSRCTEKKDRBTK
SCHEMBL23239684 0.87 BTK (0.75) LCKSRCTEKKDRBTK
SCHEMBL5819470 0.84 SRC (0.56) LCKSRCTEKKDRBTK
SCHEMBL5822885 0.83 LCK (0.77) LCKSRCTEKKDRBTK
SCHEMBL4818337 0.83 LCK (0.77) LCKSRCTEKKDRBTK

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-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
WO-2002080926-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO. KG (DE) 2002-10-17 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