SCHEMBL1980960

SCHEMBL1980960

Nc1nc2nc[nH]c2c(=O)n1Cc1ccccc1.[Tb]

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PNP P00491 3/20 0.64
ADORA3 P0DMS8 1/20 0.56
ADORA2B P29275 1/20 0.56
PDE4A P27815 7/20 0.55
PDE4B Q07343 7/20 0.55
PDE4C Q08493 7/20 0.55
PDE4D Q08499 7/20 0.55
KMT2A Q03164 2/20 0.55
POLB P06746 2/20 0.50

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
SCHEMBL18250 0.99 PNP (0.66) PNPADORA3ADORA2BPDE4APDE4B
SCHEMBL22631570 0.89 PNP (0.55) PNPADORA3ADORA2BPDE4APDE4B
Hydrochloric Acid SCHEMBL17186506 0.87 PNP (0.53) PNPADORA3ADORA2BPDE4APDE4B
SCHEMBL9226992 0.87 PNP (0.51) PNPADORA3ADORA2BPDE4APDE4B
SCHEMBL1262627 0.87 PNP (0.51) PNPADORA3ADORA2BPDE4APDE4B
SCHEMBL3308563 0.87 PNP (0.51) PNPADORA3ADORA2BPDE4APDE4B
SCHEMBL6268535 0.86 ADORA3 (0.60) PNPADORA3ADORA2BPDE4APDE4B
SCHEMBL3303816 0.86 KDM4E (0.51) PNPADORA3ADORA2BPDE4APDE4B
SCHEMBL1533551 0.86 MPO (0.54) PNPADORA3ADORA2BPDE4APDE4B
SCHEMBL3021043 0.86 PNP (0.50) PNPADORA3ADORA2BPDE4APDE4B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2329272-B1 METHOD FOR DETECTING MEMBRANE PROTEIN INTERNALIZATION ION BEAM APPLIC (BE) 2013-10-09 EP disclosed
EP-2329272-A2 METHOD FOR DETECTING MEMBRANE PROTEIN INTERNALIZATION Cis-Bio International (FR) 2011-06-08 EP disclosed
WO-2010012962-A2 METHOD FOR DETECTING MEMBRANE PROTEIN INTERNALIZATION CIS-BIO INTERNATIONAL (FR) 2010-02-04 WO disclosed