SCHEMBL3414976

SCHEMBL3414976

CC[C@H]1CNC[C@@H](N(C(=O)O)c2ccncc2N)C1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4C Q9H3R0 2/20 0.37
MEN1 O00255 1/20 0.37
KDM6B O15054 1/20 0.37
KDM4A O75164 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4D Q6B0I6 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
REN P00797 1/20 0.32
CYP19A1 P11511 1/20 0.32
PCSK9 Q8NBP7 1/20 0.31

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
SCHEMBL3414980 1.00 KDM4E (0.37) KDM4EALDH1A1KDM4CMEN1KDM6B
SCHEMBL1710458 0.89 KDM4E (0.37) KDM4EALDH1A1KDM4CMEN1KDM6B
SCHEMBL3231822 0.85 KDM4E (0.39) KDM4EALDH1A1KDM4CMEN1KDM6B
SCHEMBL1710347 0.85 KDM4E (0.39) KDM4EALDH1A1KDM4CMEN1KDM6B
SCHEMBL3232429 0.84 KDM4E (0.35) KDM4EALDH1A1KDM4CMEN1KDM6B
SCHEMBL3232441 0.84 KDM4E (0.35) KDM4EALDH1A1KDM4CMEN1KDM6B
SCHEMBL1710272 0.83 KDM4E (0.31) KDM4EALDH1A1KDM4CMEN1KDM6B
SCHEMBL3412104 0.83 JAK2 (0.33) ALDH1A1KDM4CMEN1KMT2A
SCHEMBL3410722 0.82 KDM4E (0.39) KDM4EALDH1A1KDM4CMEN1KDM6B
SCHEMBL3414887 0.82 KDM4E (0.39) KDM4EALDH1A1KDM4CMEN1KDM6B

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-2262802-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE Novartis AG (CH) 2010-12-22 EP disclosed
WO-2009109576-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2009-09-11 WO disclosed