SCHEMBL22445982

SCHEMBL22445982

CCc1nccn2nc(C)c(C(=O)O)c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
PDE4D Q08499 1/20 0.33
ABCB1 P08183 1/20 0.33
GAA P10253 1/20 0.32
NR4A1 P22736 1/20 0.32
NR4A2 P43354 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
PDE2A O00408 1/20 0.32
ALKBH1 Q13686 1/20 0.32
AURKA O14965 1/20 0.32
DAPK3 O43293 1/20 0.32
JAK2 O60674 1/20 0.32

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
SCHEMBL21894380 0.83 POLB (0.40) POLBTDP1L3MBTL1CYP1A2CYP2C9
SCHEMBL7667710 0.72 POLB (0.37) POLBTDP1L3MBTL1CYP1A2CYP2C9
SCHEMBL21818303 0.71 PDE4D (0.48) PDE4DGAANPC1RAB9AKDM4E
SCHEMBL23013769 0.69 POLB (0.34) POLBCYP1A2CYP2C9CYP2C19KMT2A
Potassium Ion SCHEMBL21818488 0.68 POLB (0.30) POLBTDP1L3MBTL1
SCHEMBL3265389 0.68 POLB (0.44) POLBTDP1L3MBTL1CYP1A2CYP2C9
SCHEMBL29241266 0.68 POLB (0.45) POLBTDP1L3MBTL1CYP1A2CYP2C9
SCHEMBL907852 0.66 NOS3 (0.39) TDP1L3MBTL1KMT2AMEN1NPC1
SCHEMBL3714513 0.66 PIK3CG (0.51) POLBTDP1L3MBTL1CYP1A2CYP2C9
SCHEMBL21894381 0.66 MTNR1A (0.37) POLBTDP1L3MBTL1CYP1A2CYP2C9

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-2020191261-A1 INDAZOLES AS LRRK2 INHIBITORS E-SCAPE BIO, INC. (US) 2020-09-24 WO disclosed