SCHEMBL5815012

SCHEMBL5815012

COc1cc(-c2nn(C3CCN(C4CCN(C)CC4)CC3)c3ccnc(N)c23)ccc1NCc1ccco1

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LCK P06239 20/20 0.74
SRC P12931 14/20 0.74
TEK Q02763 13/20 0.74
KDR P35968 3/20 0.47
FYN P06241 3/20 0.46
LIMK1 P53667 1/20 0.46
LIMK2 P53671 1/20 0.46

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
SCHEMBL5815010 0.90 LCK (0.92) LCKSRCTEKKDRFYN
SCHEMBL7702773 0.85 SRC (1.00) LCKSRCTEKKDRFYN
SCHEMBL7702761 0.85 SRC (1.00) LCKSRCTEKKDRFYN
SCHEMBL5813953 0.82 SRC (0.56) LCKSRCTEKKDRFYN
Acetic Acid SCHEMBL6430304 0.82 LCK (0.92) LCKSRCTEKKDRFYN
Acetic Acid SCHEMBL6430306 0.82 LCK (0.92) LCKSRCTEKKDRFYN
SCHEMBL6665059 0.81 LCK (0.60) LCKSRCTEKKDRFYN
SCHEMBL5819873 0.78 ABL1 (0.61) LCKSRCTEKKDRFYN
SCHEMBL5819470 0.77 SRC (0.56) LCKSRCTEKKDRFYN
SCHEMBL6669730 0.76 SRC (0.49) LCKSRCTEKKDR

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