SCHEMBL19159348

SCHEMBL19159348

COc1nc(C)c2ccncc2n1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
HASPIN Q8TF76 2/20 0.40
IDO1 P14902 1/20 0.39
LATS1 O95835 5/20 0.39
LATS2 Q9NRM7 3/20 0.38
KDM4C Q9H3R0 5/20 0.38
ACHE P22303 1/20 0.37
MAOA P21397 2/20 0.37
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
DAPK3 O43293 1/20 0.36
PLK1 P53350 1/20 0.36
PLK3 Q9H4B4 1/20 0.36
PLK2 Q9NYY3 1/20 0.36

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
SCHEMBL19158774 0.81 KDM4C (0.39) LATS1LATS2KDM4CACHE
SCHEMBL19158281 0.81 KDM4C (0.51) LATS1LATS2KDM4CACHE
SCHEMBL16095498 0.81 HASPIN (0.39) HASPINIDO1LATS1LATS2KDM4C
SCHEMBL13335778 0.77 LATS1 (0.42) LATS1LATS2KDM4CACHE
SCHEMBL19158869 0.77 HTT (0.40) IDO1LATS1LATS2KDM4C
SCHEMBL26313710 0.76 GPR3 (0.55) ALDH1A1ACHEMAOAPOLBSMN1; SMN2
SCHEMBL19158161 0.75 HRH3 (0.45) LATS1LATS2KDM4CMAOA
SCHEMBL15515002 0.74 CYP1A2 (0.58) ALDH1A1LATS1LATS2KDM4CACHE
SCHEMBL19158876 0.74 KDM4C (0.41) IDO1LATS1LATS2KDM4C
SCHEMBL19159014 0.73 F7 (0.40) ALDH1A1LATS1KDM4C

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-2970211-B1 HISTONE DEMETHYLASE INHIBITORS QUANTICEL PHARMACEUTICALS INC (US) 2017-07-26 EP disclosed