SCHEMBL7090399

SCHEMBL7090399

CN(C)C(=O)c1ccc(N2CCOCC2)cc1N.CNC(=O)c1ccc(N2CCOCC2)cc1NC(=O)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 6/20 0.42
MAPK9 P45984 4/20 0.42
PTK2 Q05397 5/20 0.41
MAPT P10636 2/20 0.40
JAK2 O60674 3/20 0.40
JAK1 P23458 2/20 0.40
TYK2 P29597 2/20 0.40
JAK3 P52333 2/20 0.40
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL5058349 0.88 MAPK10 (0.49) MAPK10MAPK9PTK2MAPTJAK2
SCHEMBL5055231 0.87 MAPK10 (0.47) MAPK10MAPTJAK2JAK1TYK2
SCHEMBL5059649 0.81 PRKDC (0.55) MAPTJAK2JAK1TYK2JAK3
SCHEMBL5059599 0.76 KDM4E (0.50) MAPTJAK2MEN1KMT2APRKDC
SCHEMBL5065220 0.74 L3MBTL1 (0.55) MAPTJAK2JAK1TYK2HDAC1
SCHEMBL2088657 0.72 JAK2 (0.47) MAPTJAK2HDAC3HDAC4HDAC1
SCHEMBL1231926 0.72 LGMN (0.54) MAPK10PTK2MAPTJAK2JAK1
SCHEMBL9181962 0.68 MAPT (0.38) MAPTMEN1KMT2A
SCHEMBL5058382 0.68 PRKDC (0.72) MAPK10PTK2MAPTJAK2JAK1
SCHEMBL30590429 0.68 PRKDC (0.71) MAPTHDAC3HDAC4HDAC1HDAC7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1351946-A2 MATERIALS AND METHODS TO POTENTIATE CANCER TREATMENT ICOS CORPORATION (US) 2003-10-15 EP disclosed
WO-2002020500-A2 MATERIALS AND METHODS TO POTENTIATE CANCER TREATMENT ICOS CORPORATION (US) 2002-03-14 WO disclosed