SCHEMBL12817586

SCHEMBL12817586

N#Cc1ncc(-c2ccc3c(c2)N(S(=O)(=O)c2cc4ccccc4s2)CCO3)cn1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 4/20 0.40
▸ PDE3A Q14432 4/20 0.40
▸ MEN1 O00255 4/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ PIK3CA P42336 5/20 0.35
▸ PIK3CD O00329 4/20 0.35
▸ PIK3CB P42338 4/20 0.35
▸ PIK3CG P48736 4/20 0.35
▸ MAPT P10636 3/20 0.35
▸ USP30 Q70CQ3 1/20 0.35
▸ RIPK2 O43353 1/20 0.34
▸ NOD2 Q9HC29 1/20 0.34
▸ TP53 P04637 1/20 0.33
▸ CA2 P00918 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
SCHEMBL12817588 0.86 PDE3B (0.35) PDE3BPDE3AMEN1KMT2AMAPT
SCHEMBL12818903 0.86 MEN1 (0.42) PDE3BPDE3AMEN1KMT2APIK3CA
SCHEMBL12819204 0.85 PDE3B (0.38) PDE3BPDE3AMEN1KMT2APIK3CA
SCHEMBL12818294 0.85 PIK3CD (0.47) PDE3BPDE3AMEN1KMT2APIK3CA
SCHEMBL12818236 0.84 PDE3B (0.35) PDE3BPDE3AMEN1KMT2AMAPT
SCHEMBL12818659 0.83 PIK3CD (0.42) PDE3BPDE3AMEN1KMT2APIK3CA
SCHEMBL12818203 0.83 PDE3B (0.37) PDE3BPDE3AMEN1KMT2AMAPT
SCHEMBL12818855 0.83 PGR (0.36) PDE3BPDE3AMEN1KMT2AMAPT
SCHEMBL12818152 0.82 MEN1 (0.38) PDE3BPDE3AMEN1KMT2AMAPT
SCHEMBL12818435 0.80 KMT2A (0.41) PDE3BPDE3AMEN1KMT2AMAPT

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
WO-2012130306-A1 BICYCLIC 2,3-DIHYRDOBENZAZINE COMPOUNDS FOR USE IN THERAPY ELARA PHARMACEUTICALS GMBH (DE) 2012-10-04 — — WO claimed
WO-2012130306-A1 BICYCLIC 2,3-DIHYRDOBENZAZINE COMPOUNDS FOR USE IN THERAPY ELARA PHARMACEUTICALS GMBH (DE) 2012-10-04 — — WO disclosed
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