SCHEMBL21391081

SCHEMBL21391081

COc1cc(F)c2nc(C)n(C3(C)CCC3)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 8/20 0.41
PDE10A Q9Y233 8/20 0.41
CDK4 P11802 3/20 0.36
CDK2 P24941 3/20 0.36
CDK6 Q00534 3/20 0.36
PDE6D O43924 1/20 0.35
PDE6A P16499 1/20 0.35
PDE6G P18545 1/20 0.35
PDE4A P27815 1/20 0.35
PDE6B P35913 1/20 0.35
PDE6C P51160 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE6H Q13956 1/20 0.35
PDE3A Q14432 1/20 0.35
CDK1 P06493 2/20 0.33
CDK7 P50613 2/20 0.33
CDK9 P50750 2/20 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
SCHEMBL21390939 0.86 PDE2A (0.41) PDE2APDE10ACDK4CDK2CDK6
SCHEMBL21391015 0.81 CDK4 (0.37) CDK4CDK2CDK6CDK1CDK7
SCHEMBL21354616 0.74 KCNQ2 (0.38) PDE2APDE10ACDK4CDK2CDK9
SCHEMBL21354655 0.72 CACNA1H (0.33) CDK4CDK2CDK9CCNA2
SCHEMBL21391183 0.72 CYP11B2 (0.46) PDE2APDE10ACDK4CDK2CDK6
SCHEMBL21390922 0.70 ALOX5AP (0.31)
SCHEMBL18202603 0.69 CDK4 (0.37) CDK4CDK2CDK6CDK1CDK7
SCHEMBL23329845 0.69 CACNA1H (0.32) PDE2APDE10ATRPC6
SCHEMBL23329945 0.67 CACNA1H (0.31) PDE2APDE10ATRPC6
SCHEMBL21390698 0.65 PDE10A (0.32) PDE2APDE10A

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
WO-2019183148-A1 KV7 CHANNEL ACTIVATORS COMPOSITIONS AND METHODS OF USE KNOPP BIOSCIENCES LLC (US) 2019-09-26 WO disclosed