SCHEMBL7095463

SCHEMBL7095463

[c]1nc2nc(-c3ncc4cccnc4n3)ncc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.33
ALDH1A1 P00352 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL190527 0.79 KDM4E (0.46) ALDH1A1KDM4EMEN1LMNAKMT2A
SCHEMBL9581 0.73
SCHEMBL8154900 0.68 ABCG2 (0.47) LMNAKMT2A
SCHEMBL23143295 0.67 PDGFRB (0.43) ALDH1A1KDM4E
SCHEMBL15549237 0.67 ALDH1A1 (0.35) ALDH1A1KDM4EMEN1LMNAKMT2A
SCHEMBL5758003 0.67
SCHEMBL5294327 0.66 HPGD (0.34) ALDH1A1KDM4EMEN1LMNAKMT2A
SCHEMBL5755357 0.65 PIK3CA (0.36) ALDH1A1KDM4E
SCHEMBL4329849 0.64 HTR2C (0.43) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL8168648 0.64 CYP19A1 (0.44) ALDH1A1KDM4EMEN1KMT2A

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-1165566-B1 PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE AS INHIBITORS OF CYTOKINE MEDIATED DISEASE ASTRAZENECA AB (SE) 2003-08-20 EP claimed