SCHEMBL20045447

SCHEMBL20045447

CC(C)(C)OC(=O)N1CC(N2Cc3c(N)cc(Br)cc3C2=O)C1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 3/20 0.43
PIK3CA P42336 6/20 0.39
USP30 Q70CQ3 3/20 0.37
PIK3R1 P27986 2/20 0.36
NR1H2 P55055 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
SMARCA2 P51531 1/20 0.36
SMARCA4 P51532 1/20 0.36
PBRM1 Q86U86 1/20 0.36
SCN9A Q15858 1/20 0.35
ESR2 Q92731 1/20 0.34
SRC P12931 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
SCHEMBL20045450 0.88 FPR2 (0.43) FPR2PIK3CAUSP30PIK3R1ESR2
SCHEMBL29222684 0.80 NR1H2 (0.36) PIK3CAUSP30NR1H2HDAC1SMARCA2
SCHEMBL31184875 0.78 FPR2 (0.44) FPR2USP30SCN9A
SCHEMBL31749583 0.78 FPR2 (0.48) FPR2USP30NR1H2HDAC1ESR2
SCHEMBL20046198 0.76 FPR2 (0.42) FPR2PIK3CAUSP30PIK3R1NR1H2
SCHEMBL20045536 0.74 FPR2 (0.41) FPR2PIK3CAUSP30NR1H2SCN9A
SCHEMBL121297 0.72 NAMPT (0.50) FPR2USP30SCN9A
SCHEMBL20046204 0.71 FPR2 (0.48) FPR2PIK3CAUSP30ESR2
SCHEMBL20133028 0.70 USP30 (0.43) FPR2USP30NR1H2HDAC1SCN9A
SCHEMBL24558149 0.70 USP30 (0.35) FPR2PIK3CAUSP30PIK3R1NR1H2

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-2018068017-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF RAS AND METHODS OF USE THEREOF ARAXES PHARMA LLC (US) 2018-04-12 WO disclosed