SCHEMBL21159280

SCHEMBL21159280

CCC1CCCC(N(N)c2ncnc(N)c2N)C1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 17/20 0.37
JAK2 O60674 14/20 0.37
JAK3 P52333 12/20 0.37
TYK2 P29597 10/20 0.37
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL21159353 0.86 JAK3 (0.34) JAK1JAK2JAK3TYK2MEN1
SCHEMBL21159572 0.86 MAP4K4 (0.36) JAK1JAK2JAK3TYK2MEN1
SCHEMBL21159366 0.82 JAK3 (0.49) JAK1JAK2JAK3TYK2MEN1
SCHEMBL19916990 0.79 JAK3 (0.42) JAK1JAK2JAK3MEN1KMT2A
SCHEMBL21159272 0.79 JAK3 (0.42) JAK1JAK2JAK3MEN1KMT2A
SCHEMBL21159262 0.78 MAP4K4 (0.36) JAK1JAK2JAK3TYK2MEN1
SCHEMBL21159292 0.76 JAK3 (0.33) JAK1JAK2JAK3TYK2MEN1
SCHEMBL19917011 0.76 MAP4K4 (0.36) JAK1JAK2JAK3TYK2MEN1
SCHEMBL21159571 0.74 JAK3 (0.46) JAK1JAK2JAK3MEN1KMT2A
SCHEMBL19917086 0.73 JAK3 (0.34) JAK1JAK2JAK3MEN1KMT2A

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