SCHEMBL14980848

SCHEMBL14980848

C[C@@H]1CC(=O)C[C@H](c2ccncc2NNC(=O)OCc2ccccc2)C1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.43
POLB P06746 1/20 0.41
ROCK2 O75116 1/20 0.38
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
NAMPT P43490 1/20 0.37
NAAA Q02083 2/20 0.37
KDM1A O60341 2/20 0.36
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PIM1 P11309 2/20 0.36
PIM3 Q86V86 2/20 0.36
PIM2 Q9P1W9 2/20 0.36
RCOR1 Q9UKL0 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
SCHEMBL4126874 0.91 POLB (0.46) POLBROCK2PDE3BPDE3ANAMPT
SCHEMBL16506011 0.91 POLB (0.46) POLBROCK2PDE3BPDE3ANAMPT
SCHEMBL16506010 0.91 POLB (0.46) POLBROCK2PDE3BPDE3ANAMPT
SCHEMBL2695221 0.77 PIM2 (0.43) PIM1PIM3PIM2
SCHEMBL2836092 0.77 PIM1 (0.51) POLBROCK2NPC1RAB9APIM1
SCHEMBL2836090 0.77 PIM1 (0.51) POLBROCK2NPC1RAB9APIM1
SCHEMBL4127327 0.77 PIM1 (0.51) POLBROCK2NPC1RAB9APIM1
SCHEMBL16587844 0.76 POLB (0.49) POLBROCK2PDE3BPDE3ANAMPT
SCHEMBL4121405 0.76 POLB (0.44) POLBROCK2NAMPTNPC1RAB9A
SCHEMBL2837177 0.76 POLB (0.44) POLBROCK2NAMPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2596790-A1 Pim kinase inhibitors and methods of their use Novartis AG (CH) 2013-05-29 EP disclosed