SCHEMBL13943303

SCHEMBL13943303

COc1ccc(CNc2nc(NCCO)nc3c2cnn3C)cc1

nearest known ligand 0.81

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BCDIN3D Q7Z5W3 10/20 0.81
SHMT2 P34897 4/20 0.76
CCNE2 O96020 2/20 0.65
CCNE1 P24864 2/20 0.65
CDK2 P24941 2/20 0.65
LMNA P02545 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL13943317 0.94 BCDIN3D (0.78) BCDIN3DSHMT2CCNE2CCNE1CDK2
SCHEMBL13947042 0.90 BCDIN3D (0.82) BCDIN3DSHMT2
SCHEMBL22805424 0.89 BCDIN3D (1.00) BCDIN3DSHMT2
SCHEMBL29582266 0.89 BCDIN3D (1.00) BCDIN3DSHMT2
SCHEMBL13943296 0.88 BCDIN3D (0.79) BCDIN3DSHMT2
SCHEMBL13943304 0.88 BCDIN3D (0.78) BCDIN3DSHMT2
SCHEMBL13944728 0.87 BCDIN3D (0.61) BCDIN3DSHMT2
SCHEMBL13947365 0.87 BCDIN3D (0.70) BCDIN3DSHMT2CCNE2CCNE1CDK2
SCHEMBL13943324 0.86 SHMT2 (1.00) BCDIN3DSHMT2
SCHEMBL13947575 0.85 BCDIN3D (0.70) BCDIN3DSHMT2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009023978-A1 PYRAZOLO [3,4 -D] PYRIMIDINE COMPOUNDS AND THEIR USE AS MODULATORS OF PROTEIN KINASE ONCALIS AG (CH) 2009-02-26 WO disclosed
EP-2025678-A1 Pyrazolo[3,4-d]pyrimidine compounds and their use as modulators of protein kinase Oncalis AG (CH) 2009-02-18 EP disclosed