SCHEMBL2565643

SCHEMBL2565643

Cc1ccccc1CC(=O)Nc1ccc2c(c1)c(-c1cccc(S(=O)(=O)CCCN(C)C)c1)nn2C1CCCCO1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 5/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ P2RY14 Q15391 1/20 0.35
▸ MCHR1 Q99705 2/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ ROCK2 O75116 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ KCNJ6 P48051 2/20 0.33
▸ KCNJ5 P48544 2/20 0.33
▸ KCNJ3 P48549 2/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 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
SCHEMBL2573254 0.83 TTK (0.41) TTKL3MBTL1KMT2AMEN1P2RY14
SCHEMBL2565605 0.78 TTK (0.49) TTKL3MBTL1MAPTHTT
SCHEMBL2566562 0.78 TTK (0.73) TTK
SCHEMBL2565730 0.77 KMT2A (0.46) TTKL3MBTL1KMT2AMEN1P2RY14
SCHEMBL5380924 0.72 MAP4K4 (0.40) L3MBTL1KMT2AMEN1TDP1MAPT
SCHEMBL5372575 0.67 MAP4K4 (0.38) TDP1MAPTKDM4E
SCHEMBL5373091 0.66 BACE1 (0.39) MAPTALDH1A1SMN1; SMN2
SCHEMBL5377521 0.66 RORC (0.42) L3MBTL1KMT2AMEN1MAPTALDH1A1
SCHEMBL5381394 0.66 IKBKB (0.41) L3MBTL1KMT2AALDH1A1
SCHEMBL5373415 0.66 KMT2A (0.40) L3MBTL1KMT2AMEN1MCHR1KCNJ6

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
WO-2011123937-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2011-10-13 — — WO disclosed
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