SCHEMBL3397410

SCHEMBL3397410

C[C@H](O)C(=O)N1CC[CH][C@H]1C(N)=O

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.31

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
SCHEMBL14311832 1.00 PIN1 (0.31) PIN1
SCHEMBL3424333 1.00 PIN1 (0.31) PIN1
SCHEMBL3400583 0.90 DPP4 (0.34) PIN1
SCHEMBL3399854 0.90 DPP4 (0.34) PIN1
SCHEMBL3399177 0.82 PIN1 (0.37) PIN1
SCHEMBL2687375 0.78 POLB (0.35) PIN1
SCHEMBL2346750 0.78 POLB (0.35) PIN1
SCHEMBL3403167 0.78 POLB (0.35) PIN1
SCHEMBL2687536 0.77 MEN1 (0.36)
SCHEMBL3403314 0.74 MEN1 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8445501-B2 Substituted 7-carboxamido-pyrrolo[3,2-d]pyrimidines TAKEDA GMBH (DE) 2013-05-21 US claimed
EP-2247594-A1 PYRROLOPYRIMIDINECARBOXAMIDES Nycomed GmbH (DE) 2010-11-10 EP claimed
WO-2009106531-A1 PYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2009-09-03 WO claimed
US-8445501-B2 Substituted 7-carboxamido-pyrrolo[3,2-d]pyrimidines TAKEDA GMBH (DE) 2013-05-21 US disclosed
EP-2247594-A1 PYRROLOPYRIMIDINECARBOXAMIDES Nycomed GmbH (DE) 2010-11-10 EP disclosed
WO-2009106531-A1 PYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2009-09-03 WO disclosed