SCHEMBL17210407

SCHEMBL17210407

CCc1nc(-c2ccc(NC(=O)C3(c4ccc(-c5cnc6[nH]ccc6c5)cc4)CCOCC3)nc2)cs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 1/20 0.41
PIK3C3 Q8NEB9 1/20 0.40
HDAC1 Q13547 2/20 0.40
POLB P06746 1/20 0.39
RIPK1 Q13546 2/20 0.39
PLK4 O00444 1/20 0.39
JAK2 O60674 1/20 0.39
MAP4K4 O95819 1/20 0.39
ROS1 P08922 1/20 0.39
FGFR1 P11362 1/20 0.39
FLT1 P17948 1/20 0.39
MARK3 P27448 1/20 0.39
FLT4 P35916 1/20 0.39
KDR P35968 1/20 0.39
FLT3 P36888 1/20 0.39
CLK2 P49760 1/20 0.39
CSNK1G2 P78368 1/20 0.39
MAP4K2 Q12851 1/20 0.39
ROCK1 Q13464 1/20 0.39
NTRK3 Q16288 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
SCHEMBL9940355 0.90 ABL1 (0.44) CD274PIK3C3HDAC1POLBRIPK1
SCHEMBL14295931 0.84 CD274 (0.42) CD274PIK3C3RIPK1PLK4JAK2
SCHEMBL17209602 0.83 IDO1 (0.45) CD274PIK3C3HDAC1RIPK1PLK4
SCHEMBL9966373 0.81 CD274 (0.42) CD274PIK3C3HDAC1POLBRIPK1
SCHEMBL9966364 0.79 GSK3B (0.49) CD274PIK3C3HDAC1POLBRIPK1
SCHEMBL9966465 0.79 CDK8 (0.43) CD274HDAC1POLBRIPK1PLK4
SCHEMBL17210412 0.78 HDAC1 (0.41) HDAC1MAP4K4CFTR
SCHEMBL9966566 0.77 ABL1 (0.41) HDAC1POLBMAP4K4CTPS1ABL1
SCHEMBL9966562 0.76 MAP4K4 (0.44) HDAC1POLBMAP4K4CTPS1PIK3CA
SCHEMBL9940475 0.74 HDAC1 (0.43) HDAC1CTPS1ABL1CFTR

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-2651930-B1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INT (DE) 2015-10-28 EP disclosed