SCHEMBL14968852

SCHEMBL14968852

CC(C)NC1CC2CCC(C1)N2c1ncnc2scc(-c3ccccc3)c12.c1ccc(-c2csc3ncnc(N4C5CCC4CC(N4CCC4)C5)c23)cc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
POLB P06746 1/20 0.48
HTT P42858 1/20 0.48
LMNA P02545 1/20 0.48
MEN1 O00255 1/20 0.46
ADRB2 P07550 2/20 0.46
ADRB1 P08588 2/20 0.46
ADRB3 P13945 2/20 0.46
AURKA O14965 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
AURKB Q96GD4 1/20 0.45

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
SCHEMBL14965266 0.94 KMT2A (0.50) KMT2APOLBHTTLMNAMEN1
SCHEMBL16293357 0.92 LMNA (0.56) KMT2APOLBHTTLMNAMEN1
SCHEMBL16293147 0.82 LMNA (0.51) KMT2APOLBHTTLMNAMEN1
SCHEMBL14965107 0.80 POLB (0.52) KMT2APOLBHTTLMNA
SCHEMBL14965498 0.77 POLB (0.52) KMT2APOLBHTTLMNAADRB2
SCHEMBL14965110 0.76 POLB (0.56) KMT2APOLBHTTLMNA
SCHEMBL16294151 0.76 POLB (0.55) KMT2APOLBHTTLMNA
SCHEMBL14968920 0.75 SMN1; SMN2 (0.34) SMN1; SMN2
SCHEMBL16293617 0.75 SMN1; SMN2 (0.41) KMT2APOLBHTTSMN1; SMN2
SCHEMBL14965219 0.75 KMT2A (0.50) KMT2APOLBHTTLMNAMEN1

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-2780343-A1 THIENO- AND FURO - PYRIMIDINES AND PYRIDINES, USEFUL AS POTASSIUM CHANNEL INHIBITORS Xention Limited (GB) 2014-09-24 EP disclosed
WO-2013072694-A1 THIENO- AND FURO - PYRIMIDINES AND PYRIDINES, USEFUL AS POTASSIUM CHANNEL INHIBITORS XENTION LIMITED (GB) 2013-05-23 WO disclosed