SCHEMBL8675772

SCHEMBL8675772

O=C(c1ccccc1)N(C(=O)c1ccccc1)c1ncnc2nc[nH]c12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.56
CSF1R P07333 1/20 0.56
BRD4 O60885 2/20 0.56
HTT P42858 5/20 0.55
LMNA P02545 4/20 0.55
ALDH1A1 P00352 3/20 0.55
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
HIF1A Q16665 2/20 0.55
HPGD P15428 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
CYP1A2 P05177 1/20 0.55
CHEK1 O14757 1/20 0.50
AURKA O14965 1/20 0.50
PDPK1 O15530 1/20 0.50
CHEK2 O96017 1/20 0.50
HSP90AA1 P07900 1/20 0.50
HSP90AB1 P08238 1/20 0.50
PRKACA P17612 1/20 0.50
CCNE1 P24864 1/20 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
SCHEMBL8675770 0.77 NPSR1 (0.42) EGFRCSF1RBRD4HTTLMNA
SCHEMBL3038560 0.75 EGFR (0.60) EGFRCSF1RBRD4HTTLMNA
Adenine SCHEMBL502575 0.71 LMNA (0.63) EGFRCSF1RBRD4HTTLMNA
SCHEMBL29514799 0.71 BRD4 (1.00) BRD4NPC1RAB9ANT5C2NT5E
SCHEMBL2938157 0.71 CDC7 (0.59) EGFRCSF1RBRD4HTTLMNA
SCHEMBL9222313 0.71 LMNA (0.79) EGFRCSF1RHTTLMNAALDH1A1
SCHEMBL8381776 0.70 BRD4 (0.97) BRD4NPC1RAB9ANT5C2NT5E
SCHEMBL16783597 0.70 PDPK1 (0.53) EGFRCSF1RBRD4HTTLMNA
SCHEMBL29466674 0.70 PDPK1 (0.53) EGFRCSF1RBRD4HTTLMNA
SCHEMBL4527316 0.70 CDK4 (0.36) HTTLMNAALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5780607-A PYRANOSYL NUCLEOSIDE MONOMER UNITS CONNECTED BY AMIDE LINKAGES HOFFMANN-LA ROCHE INC. (US) 1998-07-14 US claimed
WO-1997014709-A1 ANTISENSE OLIGOMERS F. HOFFMANN-LA ROCHE AG (CH) 1997-04-24 WO claimed
US-5780607-A PYRANOSYL NUCLEOSIDE MONOMER UNITS CONNECTED BY AMIDE LINKAGES HOFFMANN-LA ROCHE INC. (US) 1998-07-14 US disclosed
WO-1997014709-A1 ANTISENSE OLIGOMERS F. HOFFMANN-LA ROCHE AG (CH) 1997-04-24 WO disclosed
EP-0705264-A1 CARBO-ACYCLIC NUCLEOSIDE DERIVATIVES AS ANTIVIRAL AND ANTINEOPLASTIC AGENTS MERRELL PHARMACEUTICALS INC. (US) 1996-04-10 EP disclosed