SCHEMBL13947564

SCHEMBL13947564

COc1cccc(Nc2nc(NC3CCCC3)nc3c2cnn3C)c1

nearest known ligand 0.78

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SHMT2 P34897 2/20 0.78
▸ HTR2C P28335 4/20 0.68
▸ PIK3CA P42336 11/20 0.64
▸ BCDIN3D Q7Z5W3 1/20 0.59
▸ GALR2 O43603 1/20 0.56
▸ GALR1 P47211 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
SCHEMBL13944738 0.88 SHMT2 (1.00) SHMT2HTR2CBCDIN3D
SCHEMBL13944735 0.87 SHMT2 (0.98) SHMT2HTR2CBCDIN3DGALR2GALR1
SCHEMBL13943679 0.87 HTR2C (0.69) SHMT2HTR2CPIK3CABCDIN3D
SCHEMBL13947206 0.86 SHMT2 (0.59) SHMT2HTR2CPIK3CABCDIN3D
SCHEMBL13943713 0.86 KMT2A (0.74) SHMT2HTR2CBCDIN3D
SCHEMBL13943729 0.82 HTR2C (0.98) SHMT2HTR2CBCDIN3D
SCHEMBL13944737 0.82 BCDIN3D (0.71) SHMT2HTR2CPIK3CABCDIN3D
SCHEMBL13943259 0.82 HTR2C (0.74) SHMT2HTR2CBCDIN3D
SCHEMBL13943727 0.81 HTR2C (1.00) SHMT2HTR2CBCDIN3D
SCHEMBL13946808 0.81 PIK3CA (0.66) SHMT2HTR2CPIK3CABCDIN3D

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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