SCHEMBL21159294

SCHEMBL21159294

Nc1c(Cl)ncnc1N(N)C1CCC(O)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.36
JAK1 P23458 7/20 0.33
JAK3 P52333 7/20 0.33
GAA P10253 2/20 0.33
MAPT P10636 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
JAK2 O60674 4/20 0.31
RAB9A P51151 1/20 0.31
WDR5 P61964 1/20 0.31
KMT2A Q03164 1/20 0.31
MAP4K4 O95819 2/20 0.30
CDC7 O00311 1/20 0.30
PLK4 O00444 1/20 0.30
DYRK3 O43781 1/20 0.30
PRKD3 O94806 1/20 0.30
NTRK1 P04629 1/20 0.30
INSR P06213 1/20 0.30
LCK P06239 1/20 0.30
FYN P06241 1/20 0.30
CDK1 P06493 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
SCHEMBL21159370 0.84 JAK3 (0.40) HTTJAK1JAK3JAK2KMT2A
SCHEMBL21159570 0.84 JAK2 (0.37) HTTJAK1JAK3JAK2KMT2A
SCHEMBL21159298 0.77 HTT (0.34) HTTJAK1JAK3
SCHEMBL24286016 0.72 HTT (0.31) HTT
SCHEMBL21159371 0.72 HTR1A (0.39) HTTMAPTKMT2A
SCHEMBL21159593 0.72 LMNA (0.34) JAK1JAK3JAK2WDR5KMT2A
SCHEMBL21159571 0.69 JAK3 (0.46) HTTJAK1JAK3JAK2KMT2A
SCHEMBL21159272 0.68 JAK3 (0.42) JAK1JAK3JAK2KMT2AMAP4K4
SCHEMBL9323882 0.67 AHCY (0.34) HTTJAK3
SCHEMBL8856262 0.65 HTT (0.42) HTTGAAMAPTRXFP1RAB9A

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