SCHEMBL16224048

SCHEMBL16224048

CCc1ccc(OCC2CC2)c(-c2ncnc3c(C(=O)NC4CCN(C(=O)O)CC4)c(C)[nH]c23)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
MAPK1 P28482 2/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
KIT P10721 2/20 0.34
PAK1 Q13153 1/20 0.34
BRD4 O60885 2/20 0.34
HSD17B10 Q99714 1/20 0.34
PDE5A O76074 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
RIPK2 O43353 1/20 0.32
HPGD P15428 2/20 0.32
SSTR5 P35346 1/20 0.32
KDM2B Q8NHM5 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL27861996 0.95 MAPK1 (0.35) POLBMAPK1LMNAL3MBTL1KMT2A
SCHEMBL9898574 0.94 POLB (0.39) POLBMAPK1LMNAL3MBTL1KMT2A
SCHEMBL9896573 0.93 EPHX2 (0.40) POLBMAPK1LMNAL3MBTL1KIT
SCHEMBL9897502 0.93 KDM2B (0.39) POLBMAPK1LMNAL3MBTL1KMT2A
SCHEMBL9896507 0.92 LMNA (0.38) POLBMAPK1LMNAL3MBTL1KIT
SCHEMBL9897655 0.92 MEN1 (0.40) POLBMAPK1LMNAL3MBTL1KMT2A
SCHEMBL9897041 0.91 SMYD3 (0.36) POLBMAPK1LMNAL3MBTL1KIT
SCHEMBL1441879 0.91 SMYD3 (0.36) POLBMAPK1LMNAL3MBTL1KIT
SCHEMBL1441884 0.91 SMYD3 (0.36) POLBMAPK1LMNAL3MBTL1KIT
SCHEMBL9896746 0.91 LMNA (0.37) POLBMAPK1LMNAL3MBTL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2470536-B1 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2014-11-12 EP claimed
CN-102574861-A Methylpyrrolopyrimidinecarboxamides NYCOMED GMBH 2012-07-11 CN claimed
CN-102574861-B Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2015-08-05 CN disclosed
CN-102574861-A Methylpyrrolopyrimidinecarboxamides NYCOMED GMBH 2012-07-11 CN disclosed