SCHEMBL28043922

SCHEMBL28043922

[CH2][C@H]1CCCN1c1ccc(N)c(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AR P10275 7/20 0.42
PDK2 Q15119 1/20 0.33
NOTUM Q6P988 6/20 0.33
KMT2A Q03164 4/20 0.32
MEN1 O00255 3/20 0.32
GAA P10253 3/20 0.32
MAPT P10636 3/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPK1 P28482 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
KDM4E B2RXH2 1/20 0.32
DPP4 P27487 2/20 0.31
LMNA P02545 1/20 0.30
S100B P04271 1/20 0.30
PKM P14618 1/20 0.30
ALOX15 P16050 1/20 0.30
HTT P42858 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL2975255 0.83 AR (0.56) ARPDK2
SCHEMBL2793351 0.83 AR (0.56) ARPDK2
SCHEMBL2567623 0.83 AR (0.56) ARPDK2
SCHEMBL2970533 0.80 CCNE2 (0.43) AR
SCHEMBL2978130 0.80 CCNE2 (0.43) AR
SCHEMBL2970530 0.80 CCNE2 (0.43) AR
SCHEMBL2980700 0.79 AR (0.52) ARPDK2KMT2AMEN1MAPT
SCHEMBL2980699 0.79 AR (0.52) ARPDK2KMT2AMEN1MAPT
SCHEMBL2978178 0.79 HSD11B1 (0.45) ARNOTUMKMT2AMAPT
SCHEMBL12709289 0.78 DPP4 (0.39) ARPDK2DPP4

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-105188371-A Erk inhibitors and uses thereof CELGENE AVILOMICS RES INC 2015-12-23 CN disclosed