SCHEMBL4182957

SCHEMBL4182957

CCCCCNc1nc(Cl)ncc1C=COCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK17A Q9UEE5 4/20 0.38
STK17B O94768 2/20 0.38
L3MBTL1 Q9Y468 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
S1PR2 O95136 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TLR8 Q9NR97 3/20 0.33
CTSL P07711 1/20 0.32
LATS1 O95835 1/20 0.32
LATS2 Q9NRM7 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
CCNB2 O95067 2/20 0.31
CDK1 P06493 2/20 0.31
CCNB1 P14635 2/20 0.31

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
SCHEMBL3715709 0.89 STK17A (0.39) STK17ASTK17BL3MBTL1ALDH1A1
SCHEMBL3715708 0.81 STK17B (0.38) STK17ASTK17BL3MBTL1KDM4EALDH1A1
SCHEMBL3715707 0.81 STK17B (0.38) STK17ASTK17BL3MBTL1KDM4EALDH1A1
SCHEMBL1284631 0.79 TBK1 (0.44) STK17ASTK17BKDM4EALDH1A1LMNA
SCHEMBL12984819 0.77 ALDH1A1 (0.35) STK17ASTK17BL3MBTL1ALDH1A1KMT2A
SCHEMBL12984823 0.77 ALDH1A1 (0.35) STK17ASTK17BL3MBTL1ALDH1A1KMT2A
SCHEMBL13195356 0.77 KMT2A (0.35) L3MBTL1ALDH1A1KMT2A
SCHEMBL4526451 0.76 CRHR1 (0.37) L3MBTL1KDM4EALDH1A1KMT2A
SCHEMBL4182956 0.76 CRHR1 (0.37) L3MBTL1KDM4EALDH1A1KMT2A
SCHEMBL1937548 0.76 STK17A (0.54) STK17ASTK17BL3MBTL1NPSR1KDM4E

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