SCHEMBL9827151

SCHEMBL9827151

C=CCN(C)c1nc2ncncc2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.37
METAP1 P53582 1/20 0.37
NPY5R Q15761 1/20 0.33
NUDT1 P36639 1/20 0.31
CDK1 P06493 1/20 0.31
CDK5 Q00535 1/20 0.31
ENPP1 P22413 1/20 0.30

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
SCHEMBL7574497 0.83 METAP2 (0.37) METAP2METAP1NPY5RENPP1
SCHEMBL4241036 0.83 METAP2 (0.37) METAP2METAP1NPY5R
SCHEMBL7072867 0.78 NUDT1 (0.49) METAP2METAP1NPY5RNUDT1ENPP1
SCHEMBL1445584 0.78 NUDT1 (0.49) METAP2METAP1NPY5RNUDT1ENPP1
SCHEMBL3710330 0.76 METAP2 (0.40) METAP2METAP1NPY5R
SCHEMBL1079071 0.71 METAP2 (0.41) METAP2METAP1NPY5RENPP1
SCHEMBL7885242 0.69 METAP2 (0.37) METAP2METAP1NPY5RENPP1
SCHEMBL434033 0.68 METAP2 (0.44) METAP2METAP1NPY5RENPP1
SCHEMBL2563782 0.68 KMT2A (0.50) METAP2METAP1ENPP1
SCHEMBL432903 0.68 ALDH1A1 (0.40) METAP2METAP1NPY5RENPP1

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-0212535-B1 N6-DISUBSTITUTED PURINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM Roche Diagnostics GmbH (DE) 1991-05-29 EP disclosed