SCHEMBL7833249

SCHEMBL7833249

CC(=O)OC(C)CCc1cc(OCc2cnc(C)cn2)n2nccc2n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.33
CCNT1 O60563 1/20 0.32
CDK1 P06493 1/20 0.32
CDK4 P11802 1/20 0.32
CCNA2 P20248 1/20 0.32
CCND1 P24385 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
CDK9 P50750 1/20 0.32
CCNA1 P78396 1/20 0.32
CDK3 Q00526 1/20 0.32
LOXL2 Q9Y4K0 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
PRKAB2 O43741 1/20 0.30
PRKAG1 P54619 1/20 0.30
PRKAA2 P54646 1/20 0.30
PRKAA1 Q13131 1/20 0.30
PRKAG3 Q9UGI9 1/20 0.30
PRKAG2 Q9UGJ0 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
SCHEMBL7829684 0.86 PDE10A (0.35) PDE10ACCNT1CDK4CCND1CCNE1
SCHEMBL7831741 0.85 LOXL2 (0.36) PDE10ALOXL2
SCHEMBL7821397 0.83 KDM5A (0.39) LOXL2PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL7835481 0.81 LOXL2 (0.38) PDE10ACCNT1CDK1CDK4CCNA2
SCHEMBL7820991 0.81 KDM5A (0.43) PDE10ALOXL2PRKAB2PRKAG1PRKAA2
SCHEMBL7820860 0.80 PRKAB2 (0.32) LOXL2PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL7831404 0.80 PDE10A (0.39) PDE10ACCNT1CDK2CDK9LOXL2
SCHEMBL7832150 0.80 KDM4E (0.35) LOXL2
SCHEMBL7831612 0.79 LOXL2 (0.41) PDE10ACCNT1CDK1CDK4CCNA2
SCHEMBL7831750 0.78 PDE10A (0.37) PDE10ACCNT1CDK2CDK9HDAC1

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