SCHEMBL3402896

SCHEMBL3402896

CCC(=O)N1CCCC(N)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
ALDH1A1 P00352 4/20 0.46
LMNA P02545 2/20 0.46
CHRNB2 P17787 3/20 0.43
CHRNA3 P32297 3/20 0.43
CHRNA4 P43681 3/20 0.43
CHRNB3 Q05901 1/20 0.43
CHRNA6 Q15825 1/20 0.43
EPHX2 P34913 2/20 0.42
CHRNB4 P30926 2/20 0.42
CHRNA7 P36544 2/20 0.42
KDM1A O60341 2/20 0.40
MAPK1 P28482 1/20 0.40
GNAI3 P08754 1/20 0.39
GNAO1 P09471 1/20 0.39
GNAI1 P63096 1/20 0.39
EGFR P00533 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
SCHEMBL3402450 1.00 MEN1 (0.46) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL3399867 1.00 MEN1 (0.46) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL22474753 0.95 EPHX2 (0.45) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL5744811 0.89 GNAI3 (0.49) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL3403317 0.89 GNAI3 (0.49) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL15731364 0.89 GNAI3 (0.49) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL14275799 0.86 MEN1 (0.55) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL3428769 0.83 ALDH1A1 (0.43) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL27945633 0.83 MEN1 (0.69) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL3397338 0.81 ALDH1A1 (0.44) MEN1KMT2APOLBMAPTALDH1A1

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 11 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
WO-2023083365-A1 PAD4 INHIBITORS AND USE THEREOF QILU REGOR THERAPEUTICS INC. (CN) 2023-05-19 WO disclosed
US-8445501-B2 Substituted 7-carboxamido-pyrrolo[3,2-d]pyrimidines TAKEDA GMBH (DE) 2013-05-21 US disclosed
CN-102740847-A Heteroaryl compounds and uses thereof AVILA THERAPEUTICS INC 2012-10-17 CN disclosed
CN-102083800-A Heteroaryl compounds and uses thereof AVILA THERAPEUTICS AND USES TH 2011-06-01 CN disclosed
EP-2247594-A1 PYRROLOPYRIMIDINECARBOXAMIDES Nycomed GmbH (DE) 2010-11-10 EP disclosed
WO-2009120094-A2 SUBSTITUTED PYRIMIDINES AND TRIAZINES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2009-10-01 WO disclosed
WO-2009106531-A1 PYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2009-09-03 WO disclosed
US-7332509-B2 Heterocyclic amides, a process for their preparation, compositions comprising them and their use MERIAL LIMITED (US) 2008-02-19 US disclosed