SCHEMBL7844352

SCHEMBL7844352

CC1(CCc2cc(N)n3nccc3n2)OCCO1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 3/20 0.40
CCNA1 P78396 2/20 0.40
CHEK1 O14757 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK9 P50750 4/20 0.38
CDK7 P50613 2/20 0.38
CDK13 Q14004 1/20 0.38
CDK12 Q9NYV4 1/20 0.38
CCNT1 O60563 3/20 0.36
CCNH P51946 1/20 0.36
PDE10A Q9Y233 4/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK3 Q00526 1/20 0.33
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

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
SCHEMBL7831983 0.85 PRKAB2 (0.37) CDK2CCNA1CDK9CDK7CDK13
SCHEMBL7847802 0.78 CDK9 (0.52) CDK2CCNA1CHEK1CCNA2CDK9
SCHEMBL26869181 0.76 CDK2 (0.40) CDK2CCNA1CHEK1CCNA2CDK9
SCHEMBL7845174 0.75 CDK7 (0.54) CDK2CCNA1CHEK1CCNA2CDK9
SCHEMBL7848321 0.75 CDK2 (0.40) CDK2CCNA1CHEK1CCNA2CDK9
SCHEMBL7847808 0.74 CDK7 (0.50) CDK2CCNA1CHEK1CCNA2CDK9
SCHEMBL7835484 0.72 CDK2 (0.40) CDK2CCNA1CHEK1CCNA2CDK9
SCHEMBL7847598 0.71 CDK2 (0.44) CDK2CCNA1CHEK1CCNA2CDK9
SCHEMBL7846323 0.70 CDK2 (0.41) CDK2CCNA1CHEK1CCNA2CDK9
SCHEMBL26867731 0.70 CDK2 (0.48) CDK2CCNA1CHEK1CCNA2CDK9

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-0714898-B1 PYRAZOLO [1,5-a]PYRIMIDINE DERIVATIVE OTSUKA PHARMA CO LTD (JP) 2001-11-14 EP disclosed
EP-0714898-A1 PYRAZOLO [1,5-a]PYRIMIDINE DERIVATIVE OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1996-06-05 EP disclosed