SCHEMBL7576752

SCHEMBL7576752

N=C(N)c1nc2ncncc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.42
METAP1 P53582 1/20 0.42
ENPP1 P22413 1/20 0.33
NPY5R Q15761 1/20 0.32
PKN1 Q16512 1/20 0.30
PKN2 Q16513 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
SCHEMBL788792 0.83 METAP2 (0.42) METAP2METAP1ENPP1NPY5RPKN1
SCHEMBL4521139 0.79 METAP2 (0.42) METAP2METAP1ENPP1NPY5R
SCHEMBL5349501 0.77 METAP2 (0.43) METAP2METAP1ENPP1NPY5RPKN1
SCHEMBL788096 0.77 METAP2 (0.43) METAP2METAP1ENPP1NPY5R
SCHEMBL28203630 0.76 METAP2 (0.38) METAP2METAP1ENPP1PKN1PKN2
SCHEMBL7771672 0.76 METAP2 (0.42) METAP2METAP1ENPP1NPY5R
SCHEMBL19207483 0.72 METAP2 (0.39) METAP2METAP1ENPP1NPY5R
SCHEMBL5632 0.72 NUDT1 (0.50) METAP2METAP1NPY5R
SCHEMBL277596 0.72 METAP2 (0.51) METAP2METAP1ENPP1NPY5R
SCHEMBL30388675 0.72 NUDT1 (0.50) METAP2METAP1NPY5R

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
US-20020197253-A1 Compositions and methods for promoting or inhibiting NDPK DUKE UNIVERSITY 2002-12-26 US disclosed
WO-2002094376-A2 COMPOSITIONS AND METHODS FOR PROMOTING OR INHIBITING NDPK DUKE UNIVERSITY (US) 2002-11-28 WO disclosed