SCHEMBL7265442

SCHEMBL7265442

O=C1NN=C(c2ccncc2)CS1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.45
PDE3A Q14432 3/20 0.45
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
KCNH2 Q12809 1/20 0.42
DYRK1A Q13627 1/20 0.41
MAPT P10636 7/20 0.39
NPC1 O15118 6/20 0.39
RAB9A P51151 6/20 0.39
SMN1; SMN2 Q16637 6/20 0.39
ALDH1A1 P00352 5/20 0.39
KMT2A Q03164 3/20 0.39
HPGD P15428 2/20 0.39
PKM P14618 2/20 0.39
HK1 P19367 3/20 0.38
HKDC1 Q2TB90 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL7344155 0.86 KCNH2 (0.62) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL1325249 0.84 AXL (0.55) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7346817 0.81 PDE3B (0.47) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL260120 0.81 NPC1 (0.56) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10952826 0.80 CYP11B1 (0.45) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10802638 0.77 PDE4A (0.44) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL8477225 0.77 MAPT (0.52) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10803917 0.76 DYRK1A (0.49) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL3650037 0.74 PDE3B (0.44) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11081038 0.74 PDE3B (0.44) 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0085227-B1 THIADIAZINE DERIVATIVES, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-04-03 EP claimed
EP-0618204-B1 HETEROCYCLIC COMPOUND AND CARDIOTONIC CONTAINING THE SAME AS ACTIVE INGREDIENT ZENYAKU KOGYO KK (JP) 1998-06-10 EP disclosed
US-5574033-A Heterocyclic compound and cardiotonic agent containing the same as effective component ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 1996-11-12 US disclosed
US-5446042-A Heterocyclic compound and cardiotonic agent containing the same as effective component ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 1995-08-29 US disclosed
EP-0618204-A1 HETEROCYCLIC COMPOUND AND CARDIOTONIC CONTAINING THE SAME AS ACTIVE INGREDIENT ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 1994-10-05 EP disclosed
EP-0085227-B1 THIADIAZINE DERIVATIVES, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-04-03 EP disclosed
EP-0226641-B1 OXODIAZINE COMPOUNDS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1989-10-18 EP disclosed
US-4788194-A CARDIOTONIC AGENTS, HYPOTENSIVE AGENTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-11-29 US disclosed
US-4716164-A CARDIOTONIC, HYPOTENSIVE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-12-29 US disclosed
US-4713381-A ANTICOAGULANTS, ANALGESICS, ANTIINFLAMMATORY AGENT YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1987-12-15 US disclosed
EP-0226641-A1 OXODIAZINE COMPOUNDS. YOSHITOMI PHARMACEUTICAL (JP) 1987-07-01 EP disclosed
WO-1986007059-A2 OXODIAZINE COMPOUNDS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1986-12-04 WO disclosed
US-4558045-A CARDIOTONIC AND HYPOTENSIVE ACTIVITY IMPERIAL CHEMICAL INDUSTRIES, PLC (GB) 1985-12-10 US disclosed
US-4489073-A HYPOTENSIVE AND CARDIOTONIC AGENTS IMPERIAL CHEMICAL INDUSTRIES, PLC (GB) 1984-12-18 US disclosed
EP-0085227-A1 Thiadiazine derivatives, and pharmaceutical compositions containing them IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-08-10 EP disclosed