SCHEMBL21969799

SCHEMBL21969799

CC(=O)Nc1ccc(C2=NNC(=O)CC2)cc1N

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 13/20 0.49
▸ PDE3A Q14432 13/20 0.49
▸ PDE4B Q07343 5/20 0.49
▸ PDE4A P27815 4/20 0.49
▸ PDE4C Q08493 4/20 0.49
▸ PDE4D Q08499 4/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ KCNH2 Q12809 1/20 0.43
▸ LMNA P02545 1/20 0.41
▸ NPY1R P25929 1/20 0.41
▸ NPY2R P49146 1/20 0.41
▸ MAPT P10636 1/20 0.41

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
SCHEMBL21969543 0.88 PDE3B (0.49) PDE3BPDE3APDE4BPDE4APDE4C
SCHEMBL21969526 0.86 PDE3B (0.50) PDE3BPDE3APDE4BPDE4APDE4C
SCHEMBL21969542 0.85 PDE3B (0.49) PDE3BPDE3APDE4BPDE4APDE4C
SCHEMBL21969530 0.85 PDE3B (0.63) PDE3BPDE3APDE4BPDE4APDE4C
SCHEMBL9686193 0.84 PDE3B (0.44) PDE3BPDE3APDE4BPDE4APDE4C
SCHEMBL7294591 0.84 PDE3B (0.44) PDE3BPDE3APDE4BPDE4APDE4C
SCHEMBL21969547 0.82 PDE3B (0.46) PDE3BPDE3APDE4BPDE4APDE4C
SCHEMBL11758847 0.81 SMN1; SMN2 (0.42) PDE3BPDE3APDE4BPDE4APDE4C
SCHEMBL11750645 0.81 MAPT (0.48) PDE3BPDE3APDE4BPDE4APDE4C
SCHEMBL11753250 0.81 PDE3B (0.49) PDE3BPDE3ASMN1; SMN2LMNAMAPT

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-2970145-B1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CANCER BROAD INST INC (US) 2020-05-06 — — EP disclosed
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