SCHEMBL4420441

SCHEMBL4420441

Cn1c(=O)[nH]c2ncn(Cc3ccccc3)c2c1=O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNOT7 Q9UIV1 7/20 0.72
PARN O95453 1/20 0.72
SMN1; SMN2 Q16637 2/20 0.60
ADORA2B P29275 1/20 0.60
RXFP1 Q9HBX9 1/20 0.60
LMNA P02545 2/20 0.56
ALDH1A1 P00352 1/20 0.56
CYP3A4 P08684 1/20 0.56
MAPT P10636 1/20 0.56
TSHR P16473 1/20 0.56
BLM P54132 1/20 0.56
PMP22 Q01453 1/20 0.56
PDE1A P54750 1/20 0.52
PDE1B Q01064 1/20 0.52
PDE1C Q14123 1/20 0.52
POLB P06746 2/20 0.51
HIF1A Q16665 1/20 0.51
KDM4E B2RXH2 2/20 0.48
MAPK1 P28482 1/20 0.48
GLA P06280 1/20 0.47

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
SCHEMBL16076166 0.88 LMNA (0.61) CNOT7PARNSMN1; SMN2ADORA2BRXFP1
SCHEMBL8798601 0.86 CNOT7 (0.76) CNOT7PARNSMN1; SMN2ADORA2BRXFP1
SCHEMBL13861874 0.85 CNOT7 (0.70) CNOT7PARNSMN1; SMN2ADORA2BRXFP1
SCHEMBL14327687 0.85 CNOT7 (0.53) CNOT7PARNSMN1; SMN2ADORA2BRXFP1
SCHEMBL13217674 0.80 ALDH1A1 (0.66) CNOT7PARNADORA2BLMNAALDH1A1
SCHEMBL2795748 0.78 POLB (0.75) CNOT7PARNSMN1; SMN2ADORA2BRXFP1
SCHEMBL2956851 0.78 ALDH1A1 (0.59) CNOT7PARNADORA2BLMNAALDH1A1
SCHEMBL1065735 0.78 LMNA (0.59) CNOT7PARNSMN1; SMN2ADORA2BLMNA
SCHEMBL9386947 0.78 SMN1; SMN2 (0.58) CNOT7PARNSMN1; SMN2ADORA2BRXFP1
SCHEMBL19036472 0.78 CNOT7 (0.51) CNOT7PARNSMN1; SMN2LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7786301-B2 Process for preparing xanthine phosphodiesterase V inhibitors and precursors thereof SCHERING CORPORATION (US) 2010-08-31 US disclosed
WO-2009144548-A1 IMIDAZO [2,1-B] PURINE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2009-12-03 WO disclosed
EP-0538332-B1 POLYCYCLIC GUANINE DERIVATIVES SCHERING CORP (US) 1997-07-23 EP disclosed
US-5393755-A Hypotensive agents, enzyme inhibitors SCHERING CORPORATION (US) 1995-02-28 US disclosed
EP-0538332-A1 POLYCYCLIC GUANINE DERIVATIVES. SCHERING CORP (US) 1993-04-28 EP disclosed
WO-1991019717-A1 POLYCYCLIC GUANINE DERIVATIVES SCHERING CORPORATION (US) 1991-12-26 WO disclosed