SCHEMBL7066008

SCHEMBL7066008

Nc1nc(=O)c2nc[nH]c2n1Cc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PNP P00491 4/20 0.66
ADORA3 P0DMS8 1/20 0.45
ADORA2B P29275 1/20 0.45
PDE4A P27815 5/20 0.44
PDE4B Q07343 5/20 0.44
PDE4C Q08493 5/20 0.44
PDE4D Q08499 5/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 1/20 0.41
POLB P06746 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL6035387 0.79 ADORA2A (0.42) PNPADORA3ADORA2BPDE4APDE4B
SCHEMBL18247 0.78 PNP (0.59) PNPADORA3ADORA2BPDE4APDE4B
SCHEMBL1980958 0.77 PNP (0.57) PNPADORA3ADORA2BPDE4APDE4B
SCHEMBL5667528 0.76 ADORA2B (0.47) PNPADORA3ADORA2BPDE4APDE4B
SCHEMBL29015261 0.75 ADORA2A (0.46) PNPADORA3ADORA2BPDE4APDE4B
SCHEMBL16494562 0.73 PNP (0.35) PNP
SCHEMBL18250 0.73 PNP (0.66) PNPADORA3ADORA2BPDE4APDE4B
SCHEMBL22631569 0.73 PNP (0.49) PNPADORA3ADORA2BPDE4APDE4B
SCHEMBL1980960 0.72 PNP (0.64) PNPADORA3ADORA2BPDE4APDE4B
SCHEMBL29026230 0.71 PNP (0.36) PNPALDH1A1

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
EP-0702683-B8 06-SUBSTITUTED GUANINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND THEIR USE IN TREATING TUMOUR CELLS CANCER REC TECH LTD (GB) 2004-09-08 EP disclosed
EP-0702683-A1 06-SUBSTITUTED GUANINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND THEIR USE IN TREATING TUMOUR CELLS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1996-03-27 EP disclosed