SCHEMBL11028181

SCHEMBL11028181

[O-][S+]1CCN(c2nc(NCCO)nc3c(SCc4ccc(Cl)cc4)ncnc23)CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 5/20 0.43
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
GBA1 P04062 7/20 0.39
MRGPRX1 Q96LB2 1/20 0.38
ABCC1 P33527 1/20 0.36
CYP1A2 P05177 1/20 0.35
TSHR P16473 1/20 0.35
CDC7 O00311 1/20 0.34
DBF4 Q9UBU7 1/20 0.34

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
SCHEMBL11049628 0.91 SLC29A1 (0.43) SLC29A1PDE4APDE4BPDE4CPDE4D
SCHEMBL11032824 0.91 SLC29A1 (0.43) SLC29A1PDE4APDE4BPDE4CPDE4D
SCHEMBL2460092 0.91 SLC29A1 (0.45) SLC29A1PDE4APDE4BPDE4CPDE4D
SCHEMBL11048512 0.91 SLC29A1 (0.41) SLC29A1PDE4APDE4BPDE4CPDE4D
SCHEMBL11047084 0.90 PDE4A (0.41) SLC29A1PDE4APDE4BPDE4CPDE4D
SCHEMBL11049802 0.89 GBA1 (0.42) SLC29A1PDE4APDE4BPDE4CPDE4D
SCHEMBL11029471 0.88 SLC29A1 (0.41) SLC29A1PDE4APDE4BPDE4CPDE4D
SCHEMBL11049636 0.87 SLC29A1 (0.42) SLC29A1PDE4APDE4BPDE4CPDE4D
SCHEMBL11051583 0.87 SLC29A1 (0.43) SLC29A1PDE4APDE4BPDE4CPDE4D
SCHEMBL11040761 0.86 SLC29A1 (0.42) SLC29A1PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-0055444-A2 Trisubstituted pyrimido(5,4-d)pyrimidines, their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1982-07-07 EP disclosed