SCHEMBL30808272

SCHEMBL30808272

COc1cc(C2=NNC(=O)C(C)(C)C2)ccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 6/20 0.55
PDE3A Q14432 5/20 0.47
PDE3B Q13370 4/20 0.47
PDE4A P27815 3/20 0.47
PDE4C Q08493 3/20 0.47
PDE4D Q08499 3/20 0.47
HRH3 Q9Y5N1 4/20 0.46
KCNH2 Q12809 2/20 0.43
CHEK1 O14757 1/20 0.43
DYRK1A Q13627 1/20 0.40
KMO O15229 1/20 0.38
PGR P06401 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
PSD A5PKW4 1/20 0.36
LRRK2 Q5S007 1/20 0.35

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
SCHEMBL21821442 1.00 PDE4B (0.55) PDE4BPDE3APDE3BPDE4APDE4C
SCHEMBL20529210 0.85 PDE4B (0.55) PDE4BPDE3APDE3BPDE4APDE4C
SCHEMBL21821502 0.79 PDE4B (0.51) PDE4BPDE3APDE3BPDE4APDE4C
SCHEMBL30808302 0.79 PDE4B (0.51) PDE4BPDE3APDE3BPDE4APDE4C
SCHEMBL11568277 0.78 HRH3 (0.50) PDE4BPDE3APDE3BPDE4APDE4C
SCHEMBL20159394 0.72 HRH3 (0.50) PDE4BPDE3APDE3BPDE4APDE4C
SCHEMBL20138742 0.72 HRH3 (0.53) PDE4BPDE3APDE3BPDE4APDE4C
SCHEMBL6405046 0.70 PDE3B (0.44) PDE4BPDE3APDE3BPDE4APDE4C
SCHEMBL8714845 0.69 HRH3 (0.44) PDE4BPDE3APDE3BPDE4APDE4C
SCHEMBL4302847 0.68 DYRK1A (0.65) PDE4ACHEK1DYRK1AKMO

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
CN-113039182-B Inhibitors of YAP/TAZ-TEAD interactions and their use in cancer treatment 伊文蒂瓦公司 2024-02-20 CN disclosed