SCHEMBL20116683

SCHEMBL20116683

CC(C)Nc1cc(-c2nc(C3CCN(C(=O)CC(C)(C)C)C3)no2)ccc1C=N

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 3/20 0.40
TBK1 Q9UHD2 3/20 0.38
FLT3 P36888 1/20 0.38
IKBKE Q14164 1/20 0.38
CPT1A P50416 2/20 0.38
KIT P10721 1/20 0.36
HSD11B1 P28845 1/20 0.36
USP7 Q93009 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
PIK3CD O00329 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
S1PR1 P21453 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CPT2 P23786 1/20 0.35

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
SCHEMBL20117281 0.93 TBK1 (0.36) USP30TBK1FLT3IKBKECPT1A
SCHEMBL20116814 0.87 USP30 (0.53) USP30TBK1CPT1AKIT
SCHEMBL20116816 0.83 TBK1 (0.39) TBK1FLT3IKBKECPT1AKIT
SCHEMBL20117204 0.82 TBK1 (0.38) USP30TBK1CPT1AKITUSP7
SCHEMBL20676436 0.80 USP7 (0.41) USP30CPT1AKITUSP7SMN1; SMN2
SCHEMBL20116785 0.79 KIT (0.42) USP30CPT1AKITUSP7SMN1; SMN2
SCHEMBL20116775 0.78 SMN1; SMN2 (0.41) USP30TBK1CPT1AKITHSD11B1
SCHEMBL20116368 0.77 USP30 (0.42) USP30HSD11B1USP7SMN1; SMN2ALDH1A1
SCHEMBL20116844 0.76 MAPT (0.35) S1PR1
SCHEMBL20117192 0.73 TLR9 (0.51) SMN1; SMN2ALDH1A1

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-2018081167-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2018-05-03 WO disclosed