SCHEMBL9718399

SCHEMBL9718399

Cc1c(Br)ccc2c1CN1C(=N2)NC(=O)C1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 7/20 1.00
PDE3A Q14432 7/20 1.00
LMNA P02545 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
TSHR P16473 1/20 0.60
BLM P54132 1/20 0.60
MEN1 O00255 1/20 0.33
PDE2A O00408 1/20 0.33
KMT2A Q03164 1/20 0.33
P2RY12 Q9H244 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
Bromide SCHEMBL11168072 0.99 PDE3B (0.97) PDE3BPDE3ALMNACYP1A2CYP3A4
SCHEMBL11391653 0.86 PDE3B (0.76) PDE3BPDE3ALMNACYP1A2CYP3A4
SCHEMBL11400630 0.83 PDE3B (0.73) PDE3BPDE3ALMNACYP1A2CYP3A4
SCHEMBL11158019 0.79 PDE3B (0.74) PDE3BPDE3ALMNACYP1A2CYP3A4
SCHEMBL11398470 0.78 PDE3B (0.73) PDE3BPDE3ALMNACYP1A2CYP3A4
Hydrochloric Acid SCHEMBL11278036 0.77 PDE3B (0.71) PDE3BPDE3ALMNACYP1A2CYP3A4
Quazinone SCHEMBL2463520 0.75 PDE3B (1.00) PDE3BPDE3ALMNACYP1A2CYP3A4
SCHEMBL11289617 0.75 PDE3B (0.60) PDE3BPDE3ALMNACYP1A2CYP3A4
SCHEMBL1571161 0.75 PDE3B (0.60) PDE3BPDE3AMEN1PDE2AKMT2A
Quazinone SCHEMBL11279841 0.74 PDE3B (0.97) PDE3BPDE3ALMNACYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0021338-B1 QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL PREPARATIONS F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1983-10-12 EP claimed
US-4256748-A INOTROPIC AGENTS HOFFMANN-LA ROCHE INC. (US) 1981-03-17 US claimed
EP-0021338-A1 Quinazoline derivatives and pharmaceutical preparations F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1981-01-07 EP claimed
EP-0260527-B1 SYNERGETIC COMBINATION COMPRISING A PHOSPHODIESTERASE INHIBITOR AND A THROMBOXAN-A2-ANTAGONIST, AND THEIR USE OR MANUFACTURE Dr. Karl Thomae GmbH (DE) 1992-04-01 EP disclosed
EP-0306846-A2 Synergistic combination comprising a phosphodiesterase inhibitor and a thromboxane-A2 antagonist, and its use or preparation Dr. Karl Thomae GmbH (DE) 1989-03-15 EP disclosed
EP-0260527-A2 Synergetic combination comprising a phosphodiesterase inhibitor and a thromboxan-A2-antagonist, and their use or manufacture Dr. Karl Thomae GmbH (DE) 1988-03-23 EP disclosed
EP-0021338-B1 QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL PREPARATIONS F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1983-10-12 EP disclosed
EP-0054180-A3 Process for the preparation of imidazoquinazoline derivatives F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1982-12-01 EP disclosed
EP-0054180-A2 Process for the preparation of imidazoquinazoline derivatives F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1982-06-23 EP disclosed
EP-0054180-A2 Process for the preparation of imidazoquinazoline derivatives F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1982-06-23 EP disclosed
US-4256748-A INOTROPIC AGENTS HOFFMANN-LA ROCHE INC. (US) 1981-03-17 US disclosed
EP-0021338-A1 Quinazoline derivatives and pharmaceutical preparations F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1981-01-07 EP disclosed