SCHEMBL13947033

SCHEMBL13947033

COCCNc1nc(NCc2ccc(Cl)cc2)c2cnn(C)c2n1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 2/20 0.67
▸ BCDIN3D Q7Z5W3 13/20 0.65
▸ PLK4 O00444 1/20 0.59
▸ TP53 P04637 1/20 0.57
▸ SHMT2 P34897 1/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53

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
SCHEMBL13942961 0.86 SHMT2 (0.71) BCDIN3DTP53SHMT2MEN1KMT2A
SCHEMBL13947566 0.86 PDE2A (0.62) PDE2ABCDIN3DPLK4TP53SHMT2
SCHEMBL13947571 0.85 PDE2A (0.67) PDE2ABCDIN3DPLK4TP53
SCHEMBL13947561 0.84 PDE2A (0.76) PDE2ABCDIN3DPLK4TP53
SCHEMBL13943304 0.83 BCDIN3D (0.78) BCDIN3DSHMT2
SCHEMBL13942980 0.83 PDE2A (0.68) PDE2ABCDIN3DSHMT2MEN1KMT2A
SCHEMBL13947130 0.83 BCDIN3D (0.65) BCDIN3DTP53SHMT2
SCHEMBL13947042 0.80 BCDIN3D (0.82) BCDIN3DSHMT2
SCHEMBL13943303 0.79 BCDIN3D (0.81) BCDIN3DSHMT2
SCHEMBL22805424 0.79 BCDIN3D (1.00) 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
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