SCHEMBL115543

SCHEMBL115543

CCCCNc1nc2c(c(-c3ccccc3Cl)n1)CN(Cc1ccccc1)CC2

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 2/20 0.51
▸ MYLK Q15746 2/20 0.51
▸ MAPK14 Q16539 2/20 0.51
▸ C5AR1 P21730 1/20 0.46
▸ CFTR P13569 3/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CLPP Q16740 9/20 0.43
▸ LMNA P02545 1/20 0.41

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
SCHEMBL3524088 0.84 LMNA (0.47) AKT1MYLKMAPK14C5AR1MEN1
SCHEMBL115542 0.82 LMNA (0.50) AKT1MYLKMAPK14C5AR1MEN1
SCHEMBL116437 0.82 ALDH1A1 (0.51) AKT1MYLKMAPK14C5AR1MEN1
SCHEMBL16104427 0.80 C5AR1 (0.54) AKT1MYLKMAPK14C5AR1MEN1
SCHEMBL116629 0.79 LMNA (0.47) AKT1MYLKMAPK14C5AR1MEN1
SCHEMBL3434578 0.79 ALDH1A1 (0.47) AKT1MYLKMAPK14C5AR1CFTR
SCHEMBL115476 0.78 KMT2A (0.57) C5AR1MEN1KMT2ACLPP
SCHEMBL9659792 0.77 CLPP (0.52) AKT1MYLKMAPK14C5AR1MEN1
SCHEMBL3434587 0.76 ALDH1A1 (0.58) AKT1MYLKMAPK14CFTRMEN1
SCHEMBL167919 0.76 LMNA (0.46) AKT1MYLKMAPK14C5AR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424532-B1 COMPOUNDS FOR INDUCING CELLULAR APOPTOSIS QUEEN MARY & WESTFIELD COLLEGE (GB) 2014-09-24 — — EP disclosed
US-8716302-B2 Compounds for inducing cellular apoptosis QUEEN MARY & WESTFIELD COLLEGE (GB) 2014-05-06 — — US disclosed
EP-2424532-A1 COMPOUNDS FOR INDUCING CELLULAR APOPTOSIS Queen Mary and Westfield College (GB) 2012-03-07 — — EP disclosed
WO-2010125343-A1 COMPOUNDS FOR INDUCING CELLULAR APOPTOSIS QUEEN MARY AND WESTFIELD COLLEGE (GB) 2010-11-04 — — WO disclosed
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