SCHEMBL4188949

SCHEMBL4188949

CCCCCNc1nc(Cl)ncc1Br

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
STK17A Q9UEE5 5/20 0.44
STK17B O94768 3/20 0.44
ABL1 P00519 1/20 0.43
NPSR1 Q6W5P4 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
S1PR2 O95136 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TLR8 Q9NR97 3/20 0.38
LATS1 O95835 1/20 0.36
LATS2 Q9NRM7 1/20 0.36
GBA1 P04062 1/20 0.36
CTSL P07711 1/20 0.36

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
SCHEMBL3447092 0.89 KMT2A (0.50) KMT2AMEN1STK17ASTK17BABL1
SCHEMBL30367077 0.84 MEN1 (0.47) KMT2AMEN1STK17ASTK17BL3MBTL1
SCHEMBL14422461 0.84 STK17A (0.56) KMT2AMEN1STK17ASTK17BL3MBTL1
SCHEMBL5152523 0.84 STK17B (0.44) KMT2AMEN1STK17ASTK17BNPSR1
SCHEMBL17162112 0.84 MEN1 (0.47) KMT2AMEN1STK17ASTK17BL3MBTL1
SCHEMBL1937548 0.84 STK17A (0.54) KMT2ASTK17ASTK17BNPSR1L3MBTL1
SCHEMBL13649077 0.83 STK17B (0.43) KMT2AMEN1STK17ASTK17BNPSR1
SCHEMBL3715848 0.83 STK17A (0.61) KMT2AMEN1STK17ASTK17B
SCHEMBL5152648 0.83 STK17B (0.45) KMT2AMEN1STK17ASTK17BNPSR1
SCHEMBL3374448 0.82 KMT2A (0.45) KMT2AMEN1STK17ASTK17BTLR8

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