SCHEMBL7836822

SCHEMBL7836822

CCCCc1cc(NC(=O)c2cc(OC)cc(OC)c2OC)n2nccc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK7 P50613 2/20 0.44
CDK9 P50750 2/20 0.44
CCNT1 O60563 1/20 0.44
CCNH P51946 1/20 0.44
PDE5A O76074 1/20 0.43
PDE10A Q9Y233 1/20 0.42
CDK2 P24941 2/20 0.37
CDK13 Q14004 1/20 0.37
CDK12 Q9NYV4 1/20 0.37
PRKAB2 O43741 1/20 0.37
PRKAG1 P54619 1/20 0.37
PRKAA2 P54646 1/20 0.37
PRKAA1 Q13131 1/20 0.37
PRKAG3 Q9UGI9 1/20 0.37
PRKAG2 Q9UGJ0 1/20 0.37
PRKAB1 Q9Y478 1/20 0.37
KCNN3 Q9UGI6 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
CRHR1 P34998 1/20 0.36
BRD4 O60885 1/20 0.36

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
SCHEMBL3421020 0.87 BRD4 (0.48) CDK7CDK9CCNT1CCNHBRD4
SCHEMBL7845276 0.75 BRD4 (0.48) BRD4MEN1KMT2A
SCHEMBL7844914 0.75 CDK7 (0.46) CDK7CDK9CCNT1CCNHCDK2
SCHEMBL7846954 0.72 CDK9 (0.63) CDK7CDK9CCNT1CCNHPDE10A
SCHEMBL8608009 0.72 KCNN3 (0.59) CDK7CDK9CCNT1CCNHPDE10A
SCHEMBL7847494 0.72 CCNT1 (0.40) CDK7CDK9CCNT1CCNHCRHR1
SCHEMBL7847402 0.72 MEN1 (0.49) BRD4MEN1KMT2A
SCHEMBL7846049 0.71 CCNT1 (0.39) CDK7CDK9CCNT1CCNHCRHR1
SCHEMBL7843197 0.71 CDK9 (0.61) CDK7CDK9CCNT1CCNHPDE10A
SCHEMBL8391492 0.71 SMN1; SMN2 (0.46) BRD4MEN1KMT2A

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 1 patent. 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 claimed