SCHEMBL23197834

SCHEMBL23197834

CC(=N)/C(C=N)=C(\C)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MAPT P10636 5/20 0.49
ALDH1A1 P00352 5/20 0.49
GAA P10253 3/20 0.49
NPSR1 Q6W5P4 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
HTT P42858 2/20 0.48
RAB9A P51151 1/20 0.48
LMNA P02545 3/20 0.47
IDO1 P14902 1/20 0.47
PKM P14618 1/20 0.46
MPO P05164 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45

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
SCHEMBL23197769 0.85 TP53 (0.49) TP53L3MBTL1MEN1KMT2AMAPT
SCHEMBL23198944 0.82 TP53 (0.46) TP53L3MBTL1MEN1KMT2AMAPT
SCHEMBL23198467 0.78 TP53 (0.42) TP53L3MBTL1MEN1KMT2AMAPT
SCHEMBL18665944 0.75 TP53 (0.56) TP53L3MBTL1MEN1KMT2AMAPT
SCHEMBL2288364 0.75 MAPT (0.64) TP53L3MBTL1MEN1KMT2AMAPT
SCHEMBL28825701 0.74 L3MBTL1 (0.59) TP53L3MBTL1MEN1KMT2AMAPT
SCHEMBL23720127 0.73 L3MBTL1 (0.58) TP53L3MBTL1MEN1KMT2AMAPT
SCHEMBL3826992 0.72 MAPT (0.60) TP53L3MBTL1MEN1KMT2AMAPT
SCHEMBL505220 0.72 RXFP1 (0.69) TP53L3MBTL1MEN1KMT2AMAPT
SCHEMBL19766263 0.72 L3MBTL1 (0.61) TP53L3MBTL1MEN1KMT2AMAPT

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
WO-2021064077-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AS IRAK4 INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2021-04-08 WO disclosed