SCHEMBL3400643

SCHEMBL3400643

NC1CCC(NC(=O)C2(O)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 17/20 0.40
BTK Q06187 1/20 0.37

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
SCHEMBL3400639 0.81 MME (0.46) BTK
SCHEMBL15906230 0.80 EPHX1 (0.50)
SCHEMBL14748226 0.79 EPHX1 (0.54)
SCHEMBL24312848 0.76 EPHX1 (0.57) SMYD3
SCHEMBL14652117 0.76 KDM5A (0.38) SMYD3BTK
SCHEMBL21984724 0.75 EPHX1 (0.48)
SCHEMBL20748429 0.73 EPHX1 (0.52)
SCHEMBL20748435 0.73 EPHX1 (0.52)
SCHEMBL9003889 0.73 EPHX2 (0.61) SMYD3
SCHEMBL1412068 0.73 EPHX2 (0.61) SMYD3

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