SCHEMBL21159262

SCHEMBL21159262

COC1CCCC(N(N)c2ncnc(N)c2N)C1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.36
JAK3 P52333 14/20 0.34
JAK1 P23458 11/20 0.34
JAK2 O60674 8/20 0.33
TYK2 P29597 6/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP3A4 P08684 1/20 0.32
MAPK8 P45983 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
SCHEMBL21159366 0.82 JAK3 (0.49) MAP4K4JAK3JAK1JAK2TYK2
SCHEMBL21159272 0.79 JAK3 (0.42) MAP4K4JAK3JAK1JAK2MEN1
SCHEMBL19916990 0.79 JAK3 (0.42) MAP4K4JAK3JAK1JAK2MEN1
SCHEMBL21159280 0.78 JAK1 (0.37) JAK3JAK1JAK2TYK2MEN1
SCHEMBL21159353 0.76 JAK3 (0.34) JAK3JAK1JAK2TYK2MEN1
SCHEMBL21159292 0.76 JAK3 (0.33) JAK3JAK1JAK2TYK2MEN1
SCHEMBL21159572 0.76 MAP4K4 (0.36) MAP4K4JAK3JAK1JAK2TYK2
SCHEMBL19917011 0.76 MAP4K4 (0.36) MAP4K4JAK3JAK1JAK2TYK2
SCHEMBL21159571 0.74 JAK3 (0.46) JAK3JAK1JAK2MEN1KMT2A
SCHEMBL19917086 0.73 JAK3 (0.34) JAK3JAK1JAK2MEN1KMT2A

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