SCHEMBL8487669

SCHEMBL8487669

CC1([C@H]2CC[C@@H](Nc3ncc4ccccc4n3)CC2)CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 9/20 0.43
CDK2 P24941 9/20 0.43
CCNK O75909 7/20 0.43
CDK12 Q9NYV4 7/20 0.43
NPY5R Q15761 3/20 0.41
ADRA2A P08913 2/20 0.41
MCHR1 Q99705 2/20 0.41
CDK7 P50613 8/20 0.40
CCNH P51946 8/20 0.40
MNAT1 P51948 8/20 0.40
PDE10A Q9Y233 3/20 0.39
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
ROCK2 O75116 1/20 0.38
HTR3A P46098 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RIPK2 O43353 1/20 0.38

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
SCHEMBL8487675 1.00 CCNA2 (0.43) CCNA2CDK2CCNKCDK12NPY5R
SCHEMBL8488225 0.95 CCNA2 (0.46) CCNA2CDK2CCNKCDK12NPY5R
SCHEMBL8488227 0.95 CCNA2 (0.46) CCNA2CDK2CCNKCDK12NPY5R
SCHEMBL558347 0.81 NPY5R (0.52) CCNA2CDK2CCNKCDK12NPY5R
SCHEMBL16666131 0.80 NPY5R (0.50) CCNA2CDK2CCNKCDK12NPY5R
SCHEMBL558138 0.76 MAPK8 (0.56) CCNA2CDK2CCNKCDK12MKNK1
SCHEMBL558139 0.76 MAPK8 (0.56) CCNA2CDK2CCNKCDK12MKNK1
SCHEMBL28234157 0.76 CCNA2 (0.49) CCNA2CDK2CCNKCDK12NPY5R
SCHEMBL31108105 0.73 CDK2 (0.56) CCNA2CDK2CCNKCDK12NPY5R
SCHEMBL8767610 0.73 CYP1A2 (0.47) ALDH1A1

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
US-5889012-A INSECTICIDE, ACARICIDES, FUNGICIDES HOECHST-SCHERING AGREVO GMBH (DE) 1999-03-30 US disclosed