SCHEMBL2651439

SCHEMBL2651439

CNC(=O)c1csc(NC(=O)Nc2ccc(C)cc2N2CCCCC2)n1.Cc1ccc(NC(=O)Nc2nc(C(=O)N3CCOCC3)cs2)c(N2CCCCC2)c1.Cc1ccc(NC(=O)Nc2nc(CN3CCOCC3)cs2)c(N2CCCCC2)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 4/20 0.41
PIM3 Q86V86 4/20 0.41
PIM2 Q9P1W9 1/20 0.40
GAA P10253 2/20 0.40
DHFR P00374 1/20 0.39
EGFR P00533 1/20 0.39
LMNA P02545 2/20 0.39
HRH3 Q9Y5N1 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TRPC3 Q13507 1/20 0.36
TRPC6 Q9Y210 1/20 0.36
DNM1L O00429 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GCK P35557 1/20 0.36
ENPP2 Q13822 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
SCHEMBL1343401 0.89 MEN1 (0.43) PIM1PIM3LMNAMEN1KMT2A
SCHEMBL1340533 0.88 PIM1 (0.47) PIM1PIM3PIM2GAALMNA
SCHEMBL1342299 0.84 PIM1 (0.56) PIM1PIM3PIM2DHFREGFR
SCHEMBL2661569 0.80 LMNA (0.41) GAADHFREGFRLMNAHRH3
SCHEMBL1341174 0.79 MAPT (0.41) PIM1PIM3PIM2DNM1L
SCHEMBL1343787 0.77 MAPT (0.39) PIM1PIM3PIM2MEN1KMT2A
SCHEMBL1340899 0.75 MAPT (0.48) PIM1PIM3GAALMNA
SCHEMBL1340960 0.74 LMNA (0.44) GAADHFREGFRLMNAHRH3
SCHEMBL1341384 0.74 MAPT (0.43) PIM1PIM3PIM2DNM1L
SCHEMBL1343127 0.74 SMN1; SMN2 (0.50) LMNAMEN1KMT2AENPP2

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-1531815-A1 GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2005-05-25 EP disclosed
WO-2004002481-A1 ARYL CARBONYL DERIVATIVES AS THERAPEUTIC AGENTS NOVO NORDISK A/S (DK) 2004-01-08 WO disclosed