SCHEMBL6205216

SCHEMBL6205216

CCCN(CO)c1nc(Nc2ccc(N)c(Cl)c2)c2[nH]nnc2n1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.36
HTR2A P28223 4/20 0.35
HTR2C P28335 4/20 0.35
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ADORA3 P0DMS8 1/20 0.30
HTR2B P41595 1/20 0.30
TMEM97 Q5BJF2 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
TSHR P16473 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30
POLA1 P09884 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
SCHEMBL6204176 0.93 BRAF (0.36) BRAFHTR2AHTR2CMEN1LMNA
SCHEMBL6203207 0.86 KDM4E (0.36) BRAFHTR2AHTR2CADORA3HTR2B
SCHEMBL6202094 0.86 HTR2C (0.47) HTR2AHTR2CMEN1LMNAKMT2A
SCHEMBL6205210 0.86 HTR2A (0.35) HTR2AHTR2CMEN1LMNAKMT2A
SCHEMBL6205647 0.85 CDK5 (0.41) BRAFHTR2AHTR2CMEN1KMT2A
SCHEMBL6204587 0.82 BRAF (0.35) BRAFHTR2AHTR2C
SCHEMBL6204147 0.82 CCNE2 (0.40) HTR2AHTR2CNPC1RAB9A
SCHEMBL6203250 0.82 CCNE2 (0.38) HTR2AHTR2CADORA3
SCHEMBL6204174 0.78 HTR2A (0.35) HTR2AHTR2CMEN1LMNAKMT2A
SCHEMBL3444324 0.76 CDK5 (0.41) BRAFNPC1

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