SCHEMBL20031288

SCHEMBL20031288

CNc1cn2cc(-c3c(C)noc3C)ccc2n1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.52
BRD4 O60885 15/20 0.49
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HSD17B10 Q99714 1/20 0.47
BRD2 P25440 1/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42
HIF1A Q16665 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
LMNA P02545 1/20 0.41
TAF1 P21675 1/20 0.40
TAF1L Q8IZX4 1/20 0.40
NR3C1 P04150 1/20 0.39
PGR P06401 1/20 0.39

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
SCHEMBL21033158 0.76 BRD4 (0.50) USP30BRD4BRD2
SCHEMBL30845795 0.75 TGFBR1 (0.48) USP30BRD4BRD2
SCHEMBL21033470 0.73 KDM4E (0.53) USP30BRD4CYP1A2BRD2ALDH1A1
SCHEMBL24834491 0.72 NPC1 (0.52) HSD17B10MEN1ALDH1A1TSHRKMT2A
SCHEMBL17632872 0.72 USP30 (0.77) USP30
SCHEMBL17632871 0.72 USP30 (0.77) USP30
Hydrochloric Acid SCHEMBL28842904 0.71 NPC1 (0.50) HSD17B10MEN1ALDH1A1TSHRKMT2A
SCHEMBL8300240 0.69 BRD4 (0.70) BRD4BRD2NR3C1PGR
SCHEMBL24305069 0.68 MAP4K1 (0.57)
SCHEMBL24305248 0.68 MAP4K1 (0.57)

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-2018060689-A1 CYANOPYRROLIDINE DERIVATIVES WITH ACTIVITY AS INHIBITORS OF USP30 MISSION THERAPEUTICS LIMITED (GB) 2018-04-05 WO disclosed