SCHEMBL3401698

SCHEMBL3401698

C[C@H](O)C(=O)NC1CCC(C(N)=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SMYD3 Q9H7B4 2/20 0.41
▸ MME P08473 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ BTK Q06187 4/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ATM Q13315 1/20 0.34
▸ KDM1A O60341 1/20 0.34
▸ KDM5A P29375 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
SCHEMBL10257034 0.86 — —
SCHEMBL19905736 0.85 SMYD3 (0.41) SMYD3MMETSHRKMT2ASMN1; SMN2
SCHEMBL13625350 0.81 SMYD3 (0.60) SMYD3KMT2A
SCHEMBL3401705 0.81 SMYD3 (0.60) SMYD3KMT2A
SCHEMBL8006185 0.79 EPHX1 (0.52) SMYD3KMT2ASMN1; SMN2KDM4EATM
SCHEMBL3502524 0.78 SMYD3 (0.41) SMYD3TSHRBTKKMT2ASMN1; SMN2
SCHEMBL3502523 0.78 SMYD3 (0.41) SMYD3TSHRBTKKMT2ASMN1; SMN2
SCHEMBL3502526 0.78 SMYD3 (0.41) SMYD3TSHRBTKKMT2ASMN1; SMN2
SCHEMBL27795399 0.78 SMYD3 (0.41) SMYD3TSHRBTKKMT2ASMN1; SMN2
SCHEMBL15247302 0.77 SMYD3 (0.40) SMYD3BTKKMT2AKDM4EATM

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
Send feedback