SCHEMBL7835481

SCHEMBL7835481

CC(=O)OC(C)CCc1cc(Oc2nc(C)cc(C)n2)n2nccc2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.38
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CCNT1 O60563 1/20 0.33
CDK1 P06493 1/20 0.33
CDK4 P11802 1/20 0.33
CCNA2 P20248 1/20 0.33
CCND1 P24385 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
CDK9 P50750 1/20 0.33
CCNA1 P78396 1/20 0.33
CDK3 Q00526 1/20 0.33
PDE10A Q9Y233 1/20 0.31
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

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
SCHEMBL7831612 0.87 LOXL2 (0.41) LOXL2CCNT1CDK1CDK4CCNA2
SCHEMBL7833969 0.85 LOXL2 (0.50) LOXL2CCNT1CDK1CDK4CCNA2
SCHEMBL7821057 0.85 LOXL2 (0.37) LOXL2CCNT1CDK4CCND1CCNE1
SCHEMBL7821319 0.84 LOXL2 (0.40) LOXL2ALDH1A1POLBCCNT1CDK1
SCHEMBL7832654 0.82 LOXL2 (0.39) LOXL2ALDH1A1SMN1; SMN2HTT
SCHEMBL7833790 0.81 MAPT (0.38) LOXL2ALDH1A1SMN1; SMN2HTT
SCHEMBL7833781 0.81 LOXL2 (0.47) LOXL2ALDH1A1HTT
SCHEMBL7833249 0.81 PDE10A (0.33) LOXL2CCNT1CDK1CDK4CCNA2
SCHEMBL7834994 0.81 PRKAB2 (0.36) LOXL2SMN1; SMN2CCNT1CDK1CDK4
SCHEMBL7831449 0.80 PDE10A (0.43) LOXL2SMN1; SMN2CCNT1CDK1CDK4

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