SCHEMBL21159570

SCHEMBL21159570

Nc1ncnc(N(N)C2CCC(O)CC2)c1N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 6/20 0.37
MAP4K4 O95819 2/20 0.37
CDC7 O00311 1/20 0.37
PLK4 O00444 1/20 0.37
DYRK3 O43781 1/20 0.37
PRKD3 O94806 1/20 0.37
NTRK1 P04629 1/20 0.37
INSR P06213 1/20 0.37
LCK P06239 1/20 0.37
FYN P06241 1/20 0.37
CDK1 P06493 1/20 0.37
RET P07949 1/20 0.37
ROS1 P08922 1/20 0.37
SRC P12931 1/20 0.37
FER P16591 1/20 0.37
PRKACA P17612 1/20 0.37
RPS6KB1 P23443 1/20 0.37
CDK2 P24941 1/20 0.37
MARK3 P27448 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL21159294 0.84 HTT (0.36) JAK2MAP4K4CDC7PLK4DYRK3
SCHEMBL21159571 0.84 JAK3 (0.46) JAK2LCKLIMK1JAK1JAK3
SCHEMBL21159272 0.83 JAK3 (0.42) JAK2MAP4K4JAK1JAK3MEN1
SCHEMBL21159582 0.78 JAK2 (0.35) JAK2RETJAK1JAK3DGAT1
SCHEMBL21159366 0.74 JAK3 (0.49) JAK2MAP4K4LIMK1JAK1JAK3
SCHEMBL21159572 0.74 MAP4K4 (0.36) JAK2MAP4K4JAK1JAK3MEN1
SCHEMBL21159292 0.71 JAK3 (0.33) JAK2JAK1JAK3MEN1CYP3A4
SCHEMBL19917086 0.71 JAK3 (0.34) JAK2JAK1JAK3MEN1CYP3A4
SCHEMBL21159280 0.71 JAK1 (0.37) JAK2JAK1JAK3MEN1KMT2A
SCHEMBL21159370 0.68 JAK3 (0.40) JAK2JAK1JAK3HTTMEN1

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