SCHEMBL4188770

SCHEMBL4188770

CC#Cc1cnc(Cl)nc1NCCCCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK17A Q9UEE5 4/20 0.38
STK17B O94768 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
KMT2A Q03164 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CTSL P07711 1/20 0.36
S1PR2 O95136 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CCNB2 O95067 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
CCNB3 Q8WWL7 1/20 0.35
MEN1 O00255 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
TLR8 Q9NR97 2/20 0.35
KCNH3 Q9ULD8 1/20 0.35
LATS1 O95835 1/20 0.34

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
SCHEMBL4187304 0.81 STK17A (0.35) STK17ASTK17BNPSR1KMT2AL3MBTL1
SCHEMBL4768640 0.80 POLB (0.49) STK17ASTK17BNPSR1KMT2AL3MBTL1
SCHEMBL1937548 0.79 STK17A (0.54) STK17ASTK17BNPSR1KMT2AL3MBTL1
SCHEMBL4188949 0.77 KMT2A (0.47) STK17ASTK17BNPSR1KMT2AL3MBTL1
SCHEMBL4194117 0.77 TLR8 (0.44) STK17ASTK17BNPSR1KMT2AL3MBTL1
SCHEMBL25584087 0.77 KMT2A (0.44) STK17ASTK17BNPSR1KMT2AL3MBTL1
SCHEMBL15584185 0.75 PGK1 (0.41) STK17ASTK17BNPSR1KMT2AL3MBTL1
SCHEMBL4516030 0.74 CRHR1 (0.42) KMT2AMEN1
SCHEMBL1937398 0.74 STK17A (0.56) STK17ASTK17BNPSR1KMT2AL3MBTL1
SCHEMBL15584556 0.74 PGK1 (0.40) STK17ASTK17BTLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029145-A2 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES Novartis Ag (CH) 2009-03-04 EP disclosed
WO-2007140222-A2 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2007-12-06 WO disclosed