SCHEMBL7679995

SCHEMBL7679995

CC(C)Cc1c(N)nc2ccc(C(=CC#N)c3ccccc3)cn12

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 13/20 0.47
CDK4 P11802 7/20 0.47
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
CCND1 P24385 1/20 0.33
CCNE1 P24864 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31

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
SCHEMBL7679992 1.00 CDK2 (0.47) CDK2CDK4PDE4APDE4BPDE4C
SCHEMBL7676568 0.79 CDK2 (0.49) CDK2CDK4PDE4APDE4BPDE4C
SCHEMBL7676564 0.79 CDK2 (0.49) CDK2CDK4PDE4APDE4BPDE4C
SCHEMBL7681318 0.79 CDK2 (0.53) CDK2CDK4PDE4APDE4BPDE4C
SCHEMBL7681314 0.79 CDK2 (0.53) CDK2CDK4PDE4APDE4BPDE4C
SCHEMBL7680600 0.77 CDK2 (0.50) CDK2CDK4PDE4APDE4BPDE4C
SCHEMBL7680602 0.77 CDK2 (0.50) CDK2CDK4PDE4APDE4BPDE4C
SCHEMBL11006370 0.66 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL11006375 0.66 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL7675293 0.65 CDK2 (0.56) CDK2CDK4CDK1CCNB1CCND1

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-6358971-B1 FOR INHIBITING THE GROWTH OF A PICORNAVIRUS ELI LILLY AND COMPANY 2002-03-19 US disclosed