SCHEMBL28070498

SCHEMBL28070498

C[C](C)C[C@@H]1CCCN(c2c([N+](=O)[O-])cnn2C)C1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 3/20 0.36
PIM3 Q86V86 3/20 0.36
PIM2 Q9P1W9 3/20 0.36
ALDH1A1 P00352 6/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
GAA P10253 2/20 0.35
MAPT P10636 4/20 0.35
LMNA P02545 1/20 0.35
USP2 O75604 1/20 0.34
POLB P06746 1/20 0.34
THRB P10828 1/20 0.34
S100A4 P26447 1/20 0.34
HTT P42858 1/20 0.34
RECQL P46063 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL28070642 0.91 GAA (0.35) PIM1PIM3PIM2ALDH1A1KMT2A
SCHEMBL2523293 0.80 ALDH1A1 (0.37) PIM1PIM3PIM2ALDH1A1KMT2A
SCHEMBL2515867 0.77 MEN1 (0.39) ALDH1A1KMT2AMEN1GAAMAPT
SCHEMBL2515869 0.77 MEN1 (0.39) ALDH1A1KMT2AMEN1GAAMAPT
SCHEMBL2522631 0.77 MEN1 (0.39) ALDH1A1KMT2AMEN1GAAMAPT
SCHEMBL14800490 0.77 PIM1 (0.43) PIM1ALDH1A1KMT2AMEN1GAA
SCHEMBL16504578 0.76 MEN1 (0.40) PIM1PIM3PIM2ALDH1A1KMT2A
SCHEMBL14800680 0.76 PIM2 (0.44) PIM1PIM3PIM2ALDH1A1KMT2A
SCHEMBL2520823 0.76 ALDH1A1 (0.50) ALDH1A1GAAMAPTLMNAPOLB
SCHEMBL2518353 0.75 MAPT (0.38) PIM1PIM3PIM2ALDH1A1KMT2A

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
CN-105658653-A Furo- and thieno-pyridine carboxamide compounds useful as PIM kinase inhibitors 因赛特公司 2016-06-08 CN disclosed