SCHEMBL13947042

SCHEMBL13947042

CCCNc1nc(NCc2ccc(OC)cc2)c2cnn(C)c2n1

nearest known ligand 0.82

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BCDIN3D Q7Z5W3 14/20 0.82
SHMT2 P34897 4/20 0.61

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
SCHEMBL13943296 0.94 BCDIN3D (0.79) BCDIN3DSHMT2
SCHEMBL13943303 0.90 BCDIN3D (0.81) BCDIN3DSHMT2
SCHEMBL29582266 0.90 BCDIN3D (1.00) BCDIN3DSHMT2
SCHEMBL22805424 0.90 BCDIN3D (1.00) BCDIN3DSHMT2
SCHEMBL13943317 0.89 BCDIN3D (0.78) BCDIN3DSHMT2
SCHEMBL13943304 0.89 BCDIN3D (0.78) BCDIN3DSHMT2
SCHEMBL13943297 0.86 SHMT2 (0.82) BCDIN3DSHMT2
SCHEMBL22806010 0.84 BCDIN3D (1.00) BCDIN3DSHMT2
SCHEMBL29582423 0.84 BCDIN3D (1.00) BCDIN3DSHMT2
SCHEMBL13943319 0.83 BCDIN3D (0.69) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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