SCHEMBL22907245

SCHEMBL22907245

FC(F)(F)c1cc(-c2ccc3c(c2)[nH]c2ccncc23)cnc1OC1CCC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.50
KIF11 P52732 2/20 0.48
ACHE P22303 3/20 0.38
CHUK O15111 1/20 0.36
CDK1 P06493 1/20 0.35
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
CCNK O75909 2/20 0.35
CDK12 Q9NYV4 2/20 0.35
CCNT1 O60563 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
CDK9 P50750 1/20 0.35
CDK7 P50613 1/20 0.34
CCNH P51946 1/20 0.34
MNAT1 P51948 1/20 0.34

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
SCHEMBL20133403 0.84 MAPT (0.50) MAPTKIF11ACHEALOX5APFEN1
SCHEMBL20129027 0.81 MAPT (0.40) MAPTKIF11ACHE
SCHEMBL20133146 0.81 MAPT (0.53) MAPTKIF11ACHE
SCHEMBL20129026 0.80 MAPT (0.39) MAPTKIF11
SCHEMBL27099831 0.79 MAPT (0.57) MAPTKIF11ACHECHUK
SCHEMBL27097263 0.78 MAPT (0.55) MAPTKIF11ACHECHUK
SCHEMBL22906573 0.77 MAPT (0.54) MAPTKIF11ACHECHUK
SCHEMBL20129077 0.75 MAPT (0.45) MAPTKIF11ACHE
SCHEMBL20129079 0.72 MAPT (0.42) MAPTKIF11
SCHEMBL22906926 0.72 KIF11 (0.68) MAPTKIF11ACHECHUK

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-2021011913-A1 TAU-PROTEIN TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2021-01-21 WO disclosed