SCHEMBL2015349

SCHEMBL2015349

CCn1c(CNC(=O)c2nc(Cl)c(N)nc2N)nc2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.57
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
TP53 P04637 2/20 0.50
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.48
GAA P10253 1/20 0.47
POLB P06746 1/20 0.47
HPGD P15428 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL2018696 0.92 MEN1 (0.65) HTTMEN1KMT2ATP53LMNA
SCHEMBL2014088 0.90 LMNA (0.65) HTTMEN1KMT2ATP53LMNA
SCHEMBL2016412 0.88 TP53 (0.56) MEN1KMT2ATP53LMNASMN1; SMN2
SCHEMBL2018182 0.88 MEN1 (0.52) MEN1KMT2ATP53LMNASMN1; SMN2
SCHEMBL2040435 0.88 HTT (0.45) HTTMEN1KMT2ATP53LMNA
SCHEMBL2014823 0.87 HTT (0.45) HTTMEN1KMT2ATP53LMNA
SCHEMBL2016331 0.87 HTT (0.52) HTTMEN1KMT2ATP53LMNA
SCHEMBL2016076 0.86 MEN1 (0.50) HTTMEN1KMT2ATP53LMNA
SCHEMBL2019895 0.86 HTT (0.44) HTTMEN1KMT2ATP53LMNA
SCHEMBL2016153 0.86 HTT (0.44) HTTMEN1KMT2ATP53LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011079087-A1 ENAC BLOCKERS GLAXO GROUP LIMITED (GB) 2011-06-30 WO claimed
WO-2011079087-A1 ENAC BLOCKERS GLAXO GROUP LIMITED (GB) 2011-06-30 WO disclosed
WO-2011079087-A1 ENAC BLOCKERS GLAXO GROUP LIMITED (GB) 2011-06-30 WO disclosed