SCHEMBL1980958

SCHEMBL1980958

Nc1nc2[nH]cnc2c(=O)n1Cc1ccccc1.[Tb]

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PNP P00491 4/20 0.57
KDM4E B2RXH2 2/20 0.48
ADORA3 P0DMS8 1/20 0.47
ADORA2B P29275 1/20 0.47
PDE4A P27815 5/20 0.46
PDE4B Q07343 5/20 0.46
PDE4C Q08493 5/20 0.46
PDE4D Q08499 5/20 0.46
KMT2A Q03164 3/20 0.46
POLB P06746 3/20 0.44
MEN1 O00255 1/20 0.44
RGS12 O14924 1/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL18247 0.99 PNP (0.59) PNPKDM4EADORA3ADORA2BPDE4A
SCHEMBL22631569 0.89 PNP (0.49) PNPKDM4EADORA3ADORA2BPDE4A
Hydrochloric Acid SCHEMBL17186508 0.87 PNP (0.47) PNPKDM4EADORA3ADORA2BPDE4A
SCHEMBL1262618 0.87 PNP (0.45) PNPKDM4EADORA3ADORA2BPDE4A
SCHEMBL3308556 0.87 PNP (0.45) PNPKDM4EADORA3ADORA2BPDE4A
SCHEMBL4966454 0.87 PNP (0.45) PNPKDM4EADORA3ADORA2BPDE4A
SCHEMBL6268523 0.86 ADORA2B (0.53) PNPKDM4EADORA3ADORA2BKMT2A
SCHEMBL1533545 0.86 MPO (0.48) PNPPDE4APDE4BPDE4CPDE4D
SCHEMBL3310264 0.86 PNP (0.44) PNPKDM4EADORA3ADORA2BPDE4A
SCHEMBL3021036 0.86 PNP (0.44) PNPKDM4EADORA3ADORA2BPDE4A

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