SCHEMBL10657475

SCHEMBL10657475

[O-][S+]1CCN(c2nc(Cl)nc3c(Sc4ccc(Br)cc4)ncnc23)CC1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 1/20 0.34
▸ DBF4 Q9UBU7 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ PDE10A Q9Y233 1/20 0.30

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
SCHEMBL10663164 0.91 LMNA (0.36) ALDH1A1MAPTHTT
SCHEMBL10663182 0.89 LMNA (0.34) ALDH1A1MAPTHTT
SCHEMBL10969947 0.89 ABL1 (0.31) —
SCHEMBL10664690 0.89 — —
SCHEMBL10659055 0.89 HTR2C (0.36) ALDH1A1MAPT
SCHEMBL10658312 0.87 CDC7 (0.37) CDC7DBF4ALDH1A1MAPTHTT
SCHEMBL10661745 0.85 PDE10A (0.44) CDC7DBF4ALDH1A1MAPTHTT
SCHEMBL10666739 0.83 HTT (0.36) CDC7DBF4ALDH1A1MAPTHTT
SCHEMBL10660811 0.81 HTT (0.31) HTT
SCHEMBL11026578 0.81 ALDH1A1 (0.31) ALDH1A1MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4728646-A ANTITHROMBOTICS DR. KARL THOMAE GMBH (DE) 1988-03-01 — — US disclosed
US-4690923-A ANTITHROMBOTICS KARL THOMAE GMBH (DE) 1987-09-01 — — US disclosed
US-4518596-A Antithrombotic use of 2-(perhydro-1,4-diazino)-pyrimido (5,4,D)-pyrimidines DR. KARL THOMAE GMBH (DE) 1985-05-21 — — US disclosed
EP-0055444-B1 TRISUBSTITUTED PYRIMIDO(5,4-D)PYRIMIDINES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM Dr. Karl Thomae GmbH (DE) 1985-03-20 — — EP disclosed
US-4478833-A ANTICOAGULANTS DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1984-10-23 — — US disclosed
EP-0023559-B1 2-(PERHYDRO-1,4-DIAZINO)-PYRIMIDO(5,4-D)PYRIMIDINES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM Dr. Karl Thomae GmbH (DE) 1984-09-19 — — EP disclosed
EP-0055444-A2 Trisubstituted pyrimido(5,4-d)pyrimidines, their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1982-07-07 — — EP disclosed
EP-0023559-A1 2-(Perhydro-1,4-diazino)-pyrimido(5,4-d)pyrimidines, their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1981-02-11 — — EP disclosed
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