SCHEMBL28248503

SCHEMBL28248503

N#Cc1cc(C#N)cc(NCc2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.51
FFAR4 Q5NUL3 1/20 0.51
VNN1 O95497 2/20 0.51
KDM4E B2RXH2 1/20 0.50
CHEK1 O14757 1/20 0.49
DAPK3 O43293 1/20 0.49
ROCK2 O75116 1/20 0.49
RPS6KA5 O75582 1/20 0.49
CHEK2 O96017 1/20 0.49
ABL1 P00519 1/20 0.49
PRKACA P17612 1/20 0.49
RPS6KB1 P23443 1/20 0.49
AKT1 P31749 1/20 0.49
AKT2 P31751 1/20 0.49
CLK2 P49760 1/20 0.49
GSK3A P49840 1/20 0.49
GSK3B P49841 1/20 0.49
RPS6KA3 P51812 1/20 0.49
CSNK1G2 P78368 1/20 0.49
PRKAA1 Q13131 1/20 0.49

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
SCHEMBL28248508 0.84 VNN1 (0.50) FFAR1VNN1KDM4EEGFRHDAC1
SCHEMBL28248630 0.79 VNN1 (0.50) FFAR1FFAR4VNN1KDM4ECHEK1
SCHEMBL4242744 0.79 FFAR1 (0.66) FFAR1FFAR4CHEK1DAPK3ROCK2
SCHEMBL5544937 0.78 FFAR1 (0.58) FFAR1FFAR4KDM4ECHEK1DAPK3
SCHEMBL6695026 0.77 HDAC1 (0.55) FFAR1FFAR4VNN1CHEK1DAPK3
SCHEMBL4352193 0.75 FFAR1 (0.55) FFAR1FFAR4CHEK1DAPK3ROCK2
SCHEMBL5226860 0.75 FFAR1 (0.61) FFAR1FFAR4KDM4ECHEK1DAPK3
SCHEMBL5180466 0.75 FFAR1 (0.54) FFAR1FFAR4CHEK1DAPK3ROCK2
SCHEMBL4351774 0.74 FFAR1 (0.54) FFAR1FFAR4CHEK1DAPK3ROCK2
SCHEMBL631859 0.74 MEN1 (0.55) FFAR1FFAR4CHEK1DAPK3ROCK2

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
CN-106431989-B The aminated compounds and its preparation method and application of N- halogenated aryls substitution 云南大学 2018-10-16 CN disclosed