SCHEMBL6205210

SCHEMBL6205210

CCCN(CO)c1nc(Nc2ccc(N)c(Cl)c2)c2nn[nH]c2n1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.35
HTR2C P28335 4/20 0.35
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CDK5 Q00535 1/20 0.32
ATM Q13315 1/20 0.32
CDK5R1 Q15078 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
PPIA P62937 1/20 0.30

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
SCHEMBL6204174 0.92 HTR2A (0.35) HTR2AHTR2CMEN1LMNAKMT2A
SCHEMBL6203203 0.86 CDK5 (0.40) HTR2AHTR2CCDK5ATMCDK5R1
SCHEMBL6202086 0.86 HTR2C (0.48) HTR2AHTR2CMEN1LMNAKMT2A
SCHEMBL6205216 0.86 BRAF (0.36) HTR2AHTR2CMEN1LMNAKMT2A
SCHEMBL6205643 0.84 CDK5 (0.45) HTR2AHTR2CMEN1KMT2ACDK5
SCHEMBL6204146 0.82 CCNE2 (0.45) HTR2AHTR2C
SCHEMBL6203247 0.81 CCNE2 (0.43) HTR2AHTR2CMEN1KMT2A
SCHEMBL6204176 0.78 BRAF (0.36) HTR2AHTR2CMEN1LMNAKMT2A
SCHEMBL3444318 0.75 CDK5 (0.45) CDK5CDK5R1
SCHEMBL6203167 0.74 CCNE1 (0.41) CDK5ATMCDK5R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539760-A2 AZAPURINE DERIVATIVES INSTITUTE OF EXPERIMENTAL BOTANY ASCR (CZ) 2005-06-15 EP claimed
WO-2004018473-A2 AZAPURINE DERIVATIVES INSTITUTE OF EXPERIMENTAL BOTANY ASCR (CZ) 2004-03-04 WO claimed
EP-1539760-A2 AZAPURINE DERIVATIVES INSTITUTE OF EXPERIMENTAL BOTANY ASCR (CZ) 2005-06-15 EP disclosed
WO-2004018473-A2 AZAPURINE DERIVATIVES INSTITUTE OF EXPERIMENTAL BOTANY ASCR (CZ) 2004-03-04 WO disclosed