SCHEMBL21159593

SCHEMBL21159593

COC(=O)C1CCCC(N(N)c2ncnc(Cl)c2N)C1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
KDM1A O60341 1/20 0.32
KMT2A Q03164 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 1/20 0.32
WDR5 P61964 1/20 0.32
HSD11B1 P28845 2/20 0.31
JAK1 P23458 6/20 0.31
JAK3 P52333 4/20 0.31
JAK2 O60674 4/20 0.31
CDK9 P50750 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL21138178 0.78 IRAK1 (0.41) LMNAKMT2AWDR5JAK3
SCHEMBL21159370 0.77 JAK3 (0.40) LMNAKMT2AMEN1HSD11B1JAK1
SCHEMBL21159294 0.72 HTT (0.36) KMT2AWDR5JAK1JAK3JAK2
SCHEMBL14165369 0.68 IRAK1 (0.41) LMNA
SCHEMBL14165368 0.68 IRAK1 (0.41) LMNA
SCHEMBL29740638 0.68 IRAK1 (0.41) LMNA
SCHEMBL14165818 0.68 IRAK1 (0.41) LMNA
SCHEMBL14165782 0.68 IRAK1 (0.41) LMNA
SCHEMBL14165965 0.68 IRAK1 (0.41) LMNA
SCHEMBL21159262 0.68 MAP4K4 (0.36) KMT2AMEN1JAK1JAK3JAK2

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-3505171-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2019-07-03 EP disclosed