SCHEMBL6963344

SCHEMBL6963344

O=C1CCc2cc(C=CCn3ccnc3)ccc2N1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 7/20 0.67
▸ PDE3B Q13370 5/20 0.67
▸ PDE3A Q14432 5/20 0.67
▸ CRBN Q96SW2 5/20 0.57
▸ PSEN1 P49768 1/20 0.44
▸ PSEN2 P49810 1/20 0.44
▸ APH1B Q8WW43 1/20 0.44
▸ NCSTN Q92542 1/20 0.44
▸ APH1A Q96BI3 1/20 0.44
▸ PSENEN Q9NZ42 1/20 0.44
▸ TNIK Q9UKE5 1/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP11B1 P15538 2/20 0.41
▸ CYP11B2 P19099 2/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ JAK3 P52333 2/20 0.39
▸ KIF11 P52732 4/20 0.36

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
SCHEMBL6963342 1.00 TBXAS1 (0.67) TBXAS1PDE3BPDE3ACRBNPSEN1
SCHEMBL10463488 0.90 TBXAS1 (0.65) TBXAS1PDE3BPDE3ACRBNPSEN1
SCHEMBL10463487 0.90 TBXAS1 (0.65) TBXAS1PDE3BPDE3ACRBNPSEN1
SCHEMBL10464749 0.88 TBXAS1 (0.63) TBXAS1PDE3BPDE3ACRBNTNIK
SCHEMBL10464750 0.88 TBXAS1 (0.63) TBXAS1PDE3BPDE3ACRBNTNIK
SCHEMBL10464755 0.80 TBXAS1 (1.00) TBXAS1PDE3BPDE3ACRBNTNIK
SCHEMBL10464756 0.80 TBXAS1 (1.00) TBXAS1PDE3BPDE3ACRBNTNIK
SCHEMBL10836202 0.78 TBXAS1 (0.56) TBXAS1PDE3BPDE3ACRBNCYP1A2
SCHEMBL10836211 0.78 TBXAS1 (0.56) TBXAS1PDE3BPDE3ACRBNCYP1A2
SCHEMBL10463554 0.75 TBXAS1 (0.57) TBXAS1PDE3BPDE3ACRBNTNIK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0974584-B1 FUSED RING COMPOUNDS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-01-15 — — EP claimed
US-6420375-B1 ANTITUMOR TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-16 — — US claimed
CN-1251577-A Fused ring compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2000-04-26 — — CN claimed
EP-0974584-A1 FUSED RING COMPOUNDS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-01-26 — — EP claimed
US-4792561-A ANTICOAGULANTS, CARDIOVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1988-12-20 — — US claimed
JP-10291981-A — — None — — JP disclosed
EP-0974584-B1 FUSED RING COMPOUNDS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-01-15 — — EP disclosed
EP-0974584-B1 FUSED RING COMPOUNDS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-01-15 — — EP disclosed
US-6420375-B1 ANTITUMOR TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-16 — — US disclosed
US-6420375-B1 ANTITUMOR TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-16 — — US disclosed
EP-0974584-A4 FUSED RING COMPOUNDS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2000-05-17 — — EP disclosed
CN-1251577-A Fused ring compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2000-04-26 — — CN disclosed
CN-1251577-A Fused ring compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2000-04-26 — — CN disclosed
EP-0974584-A1 FUSED RING COMPOUNDS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-01-26 — — EP disclosed
EP-0974584-A1 FUSED RING COMPOUNDS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-01-26 — — EP disclosed
JP-H10291981-A CONDENSED RING COMPOUND, ITS PRODUCTION AND USE TAKEDA CHEM IND LTD 1998-11-04 — — JP disclosed
WO-1998037070-A1 FUSED RING COMPOUNDS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-08-27 — — WO disclosed
US-4921862-A Carbostyril derivatives as combined thromboxane synthetase and cyclic-amp phosphodiesterase inhibitors SYNTEX (U.S.A.) INC. (US) 1990-05-01 — — US disclosed
US-4792561-A ANTICOAGULANTS, CARDIOVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1988-12-20 — — US disclosed
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