SCHEMBL2573254

SCHEMBL2573254

Cc1ccccc1CC(=O)Nc1ccc2c(c1)c(-c1cc(CN(C)C)cc(S(C)(=O)=O)c1)nn2C1CCCCO1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ MAPT P10636 2/20 0.34
▸ KCNJ6 P48051 2/20 0.34
▸ KCNJ5 P48544 2/20 0.34
▸ KCNJ3 P48549 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ RORC P51449 3/20 0.33
▸ DGAT2 Q96PD7 1/20 0.33
▸ RXRA P19793 1/20 0.33
▸ RXRB P28702 1/20 0.33
▸ RXRG P48443 1/20 0.33
▸ P2RY14 Q15391 1/20 0.33
▸ MCHR1 Q99705 1/20 0.32
▸ LMNA P02545 1/20 0.32

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
SCHEMBL2565643 0.83 TTK (0.45) TTKL3MBTL1KMT2AMEN1TDP1
SCHEMBL2565730 0.78 KMT2A (0.46) TTKL3MBTL1KMT2AMEN1TDP1
SCHEMBL12281699 0.78 TTK (0.67) TTK
SCHEMBL2565605 0.74 TTK (0.49) TTKL3MBTL1MAPTDGAT2POLB
SCHEMBL5380924 0.67 MAP4K4 (0.40) L3MBTL1KMT2AMEN1TDP1MAPT
SCHEMBL12282261 0.64 TTK (0.85) TTK
SCHEMBL5373091 0.64 BACE1 (0.39) MAPTALDH1A1DGAT2RXRARXRB
SCHEMBL5381394 0.64 IKBKB (0.41) L3MBTL1KMT2AALDH1A1RORC
SCHEMBL5372575 0.63 MAP4K4 (0.38) TDP1MAPTKDM4EDGAT2RXRA
SCHEMBL5386995 0.62 MAPT (0.38) KMT2AMEN1MAPTKCNJ6KCNJ5

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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