SCHEMBL16649705

SCHEMBL16649705

CNC[C@@H](N)c1ccc(C(F)(F)F)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 3/20 0.45
KIF11 P52732 7/20 0.39
ADRB1 P08588 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRB3 P13945 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
FFAR1 O14842 1/20 0.37
MAPK1 P28482 1/20 0.37
KDM1A O60341 1/20 0.36
PDE2A O00408 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
KCNH2 Q12809 1/20 0.36
SLC7A5 Q01650 2/20 0.36

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
SCHEMBL4020708 0.82 KIF11 (0.42) KIF11FFAR1KDM1APDE2ASLC6A4
SCHEMBL15157706 0.82 KIF11 (0.42) KIF11FFAR1KDM1APDE2ASLC6A4
SCHEMBL15157447 0.82 KIF11 (0.42) KIF11FFAR1KDM1APDE2ASLC6A4
SCHEMBL28196899 0.81 ADRA2A (0.60) AKT1ADRB1ADRA2AADRB3ADRA2B
SCHEMBL28196898 0.81 ADRA2A (0.60) AKT1ADRB1ADRA2AADRB3ADRA2B
SCHEMBL14980670 0.80 KIF11 (0.43) KIF11FFAR1KDM1APDE2ASLC7A5
SCHEMBL16649703 0.80 SLC7A5 (0.45) KIF11FFAR1KDM1APDE2ASLC7A5
SCHEMBL14980644 0.79 KIF11 (0.42) KIF11FFAR1KDM1APDE2ASLC7A5
SCHEMBL12498078 0.78 PDE2A (0.39) KIF11FFAR1KDM1APDE2ASLC7A5
SCHEMBL16649911 0.78 PDE2A (0.39) KIF11FFAR1KDM1APDE2ASLC7A5

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-2681215-B1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2015-04-22 EP claimed