SCHEMBL6131742

SCHEMBL6131742

O=c1c2cn[nH]c2nc(CC2CCCCC2)n1C1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 2/20 0.43
CDK2 P24941 2/20 0.42
CCNT1 O60563 1/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
CDK7 P50613 1/20 0.37
CDK9 P50750 1/20 0.37
CCNH P51946 1/20 0.37
CDK5 Q00535 1/20 0.37
PIK3CA P42336 1/20 0.37
MTOR P42345 1/20 0.37
GAA P10253 1/20 0.37
ALOX15 P16050 1/20 0.37
ALDH1A1 P00352 1/20 0.36
JAK2 O60674 2/20 0.36
ROCK2 O75116 1/20 0.36
GSK3B P49841 1/20 0.36
PDE1C Q14123 1/20 0.35
JAK1 P23458 3/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL7876154 0.69 PDE9A (0.56) PDE9ACDK2ALDH1A1PDE1C
SCHEMBL17615879 0.68 TRPC5 (0.44) CDK2CCNT1CDK1CCNB1CDK7
SCHEMBL17870123 0.66 GAA (0.40) PIK3CAMTORGAAALOX15ALDH1A1
SCHEMBL7883156 0.63 PDE9A (0.49) PDE9ACDK2ALDH1A1PDE1C
SCHEMBL14722217 0.61 TRPC5 (0.42) PDE9ACDK2JAK2PDE1CJAK1
SCHEMBL6131743 0.61 CDK2 (0.43) PDE9ACDK2CCNT1CDK1CCNB1
SCHEMBL23310487 0.61 ALDH1A1 (0.47) GAAALOX15ALDH1A1JAK2GSK3B
SCHEMBL7480350 0.61 GAA (0.37) PIK3CAMTORGAAALOX15ALDH1A1
SCHEMBL12895942 0.60 ALOX15 (0.47) GAAALOX15ALDH1A1JAK2GSK3B
SCHEMBL1664897 0.60 PDE9A (1.00) PDE9APDE1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1534285-A2 SELECTIVE PHOSPHODIESTERASE 9A INHIBITORS AS MEDICAMENTS FOR IMPROVING COGNITIVE PROCESSES Bayer HealthCare AG (DE) 2005-06-01 EP disclosed
WO-2004026286-A2 SELECTIVE PHOSPHODIESTERASE 9A INHIBITORS AS MEDICAMENTS FOR IMPROVING COGNITIVE PROCESSES BAYER HEALTHCARE AG (DE) 2004-04-01 WO disclosed