SCHEMBL23635157

SCHEMBL23635157

CC1=C=CC=C(C(=O)Nc2ncc(-c3cccc(S(=O)(=O)C4CC4)c3)cc2F)C=N1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.38
NR4A2 P43354 1/20 0.37
DHODH Q02127 1/20 0.37
GPR6 P46095 1/20 0.36
KCNH2 Q12809 3/20 0.35
PLK4 O00444 5/20 0.33
PIK3C3 Q8NEB9 2/20 0.33
PAK4 O96013 1/20 0.33
NTRK1 P04629 1/20 0.33
PTK2 Q05397 1/20 0.33
TBK1 Q9UHD2 1/20 0.33
CTSK P43235 1/20 0.33
CTSC P53634 1/20 0.33
KIF18A Q8NI77 2/20 0.33
CDK7 P50613 1/20 0.33
CCNH P51946 1/20 0.33
MNAT1 P51948 1/20 0.33
ABL1 P00519 1/20 0.33
USP7 Q93009 1/20 0.33
USP47 Q96K76 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
SCHEMBL18979412 0.80 FFAR4 (0.43) FFAR4NR4A2DHODHGPR6KCNH2
SCHEMBL17027768 0.68 FFAR4 (0.47) FFAR4KCNH2
SCHEMBL17027851 0.65 PIK3CG (0.49) FFAR4KCNH2CTPS1
SCHEMBL22643399 0.65 FFAR4 (0.48) FFAR4KCNH2CTSKCTSC
SCHEMBL31672280 0.64 CCR6 (0.44) KCNH2CTPS1
SCHEMBL18979467 0.64 CCR6 (0.44) KCNH2CTPS1
SCHEMBL15624597 0.63 FFAR4 (0.47) FFAR4KCNH2PLK4CTSKCTSC
SCHEMBL18979399 0.63 DHODH (0.44) NR4A2DHODHABL1
SCHEMBL19155112 0.61 CTSC (0.49) FFAR4KCNH2CTSKCTSC
SCHEMBL18979444 0.61 DHODH (0.51) FFAR4NR4A2DHODH

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-3107909-B1 ANTIMITOTIC AMIDES FOR THE TREATMENT OF CANCER AND PROLIFERATIVE DISORDERS FROST BIOLOGIC INC (US) 2021-07-14 EP disclosed