SCHEMBL6665059

SCHEMBL6665059

COc1cc(-c2nn(C3CCN(C4CCN(C)CC4)CC3)c3ccnc(N)c23)ccc1NC(=O)O

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LCK P06239 20/20 0.60
SRC P12931 12/20 0.60
TEK Q02763 11/20 0.60
KDR P35968 3/20 0.59
FYN P06241 3/20 0.58
LIMK1 P53667 1/20 0.56
LIMK2 P53671 1/20 0.56

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
SCHEMBL5819873 0.90 ABL1 (0.61) LCKSRCTEKKDRFYN
SCHEMBL5787000 0.88 LCK (0.77) LCKSRCTEKKDRFYN
SCHEMBL5812726 0.86 SRC (0.61) LCKSRCTEKKDRFYN
SCHEMBL5813953 0.86 SRC (0.56) LCKSRCTEKKDRFYN
SCHEMBL7152942 0.85 SRC (0.60) LCKSRCTEKKDRFYN
SCHEMBL4826465 0.84 LCK (0.74) LCKSRCTEKKDRFYN
SCHEMBL4847861 0.83 LCK (0.84) LCKSRCTEKKDRFYN
SCHEMBL5813030 0.82 LCK (0.51) LCKSRCTEKKDRFYN
SCHEMBL5815012 0.81 LCK (0.74) LCKSRCTEKKDRFYN
SCHEMBL5819470 0.81 SRC (0.56) LCKSRCTEKKDRFYN

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-1212327-B8 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO KG (DE) 2004-02-25 EP 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