SCHEMBL9834616

SCHEMBL9834616

CCC(C)c1nc2cc3c(cc2[nH]1)NC(=O)C3(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 6/20 0.47
PDE3A Q14432 6/20 0.47
PDE4A P27815 5/20 0.47
PDE4B Q07343 5/20 0.47
PDE4C Q08493 5/20 0.47
PDE4D Q08499 5/20 0.47
AURKA O14965 3/20 0.46
AURKB Q96GD4 3/20 0.46
SCN10A Q9Y5Y9 1/20 0.38
ATAD2 Q6PL18 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
HSD17B10 Q99714 1/20 0.35
BMPR1B O00238 1/20 0.34
BMPR1A P36894 1/20 0.34
TGFBR1 P36897 1/20 0.34
ACVRL1 P37023 1/20 0.34
ACVR1 Q04771 1/20 0.34
AAK1 Q2M2I8 1/20 0.33
PDK2 Q15119 1/20 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
SCHEMBL9834585 0.87 PDE3B (0.51) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9835346 0.79 PDE3B (0.51) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9834966 0.76 AURKA (0.56) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9835173 0.76 PDE3B (0.54) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9835632 0.76 KMT2A (0.50) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9835257 0.75 PDE3B (0.48) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9836087 0.75 PDE3B (0.53) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10667572 0.75 PDE3B (0.53) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10472429 0.75 PDE4A (0.48) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9834905 0.74 PDE4A (0.47) PDE3BPDE3APDE4APDE4BPDE4C

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0214592-B1 PYRROLOBENZIMIDAZOLES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THESE PRODUCTS Roche Diagnostics GmbH (DE) 1991-08-14 EP disclosed
US-4730003-A Tricyclic compounds for treating heart and circulatory diseases BOEHRINGER MANNHEIM GMBH (DE) 1988-03-08 US disclosed