SCHEMBL7829684

SCHEMBL7829684

Cc1cnc(COc2cc(CCC(C)O)nc3ccnn23)cn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.35
HDAC1 Q13547 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
PRKAB2 O43741 1/20 0.33
PRKAG1 P54619 1/20 0.33
PRKAA2 P54646 1/20 0.33
PRKAA1 Q13131 1/20 0.33
PRKAG3 Q9UGI9 1/20 0.33
PRKAG2 Q9UGJ0 1/20 0.33
PRKAB1 Q9Y478 1/20 0.33
HDAC5 Q9UQL6 1/20 0.32
CDK9 P50750 5/20 0.31
CDK2 P24941 2/20 0.31
CDK7 P50613 2/20 0.31
CDK13 Q14004 1/20 0.31
CDK12 Q9NYV4 1/20 0.31
CCNT1 O60563 4/20 0.31
CDK4 P11802 1/20 0.31
CCND1 P24385 1/20 0.31
CCNE1 P24864 1/20 0.31

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
SCHEMBL7833249 0.86 PDE10A (0.33) PDE10AHDAC1HDAC6PRKAB2PRKAG1
SCHEMBL7831404 0.85 PDE10A (0.39) PDE10AHDAC1HDAC6PRKAB2PRKAG1
SCHEMBL7831750 0.83 PDE10A (0.37) PDE10AHDAC1HDAC6PRKAB2PRKAG1
SCHEMBL7832635 0.83 GABRA1 (0.36) PDE10APRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL7835469 0.81 HTR2C (0.38) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7820723 0.81 PRKAB2 (0.36) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7820727 0.81 HDAC1 (0.36) PDE10AHDAC1HDAC6PRKAB2PRKAG1
SCHEMBL7832723 0.80 CDK2 (0.42) CDK2CCNE1
SCHEMBL7832013 0.80 KDM5A (0.39) PDE10APRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL7821057 0.79 LOXL2 (0.37) PDE10APRKAB2PRKAG1PRKAA2PRKAA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0820997-B1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES OTSUKA PHARMA CO LTD (JP) 2001-07-25 EP disclosed
US-5985882-A ANALGESICS OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1999-11-16 US disclosed
EP-0820997-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1998-01-28 EP disclosed