SCHEMBL20731985

SCHEMBL20731985

Cc1cccc2c(N)cnn12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
TLR8 Q9NR97 1/20 0.35
TSHR P16473 2/20 0.34
PIK3CA P42336 2/20 0.34
CYP3A4 P08684 1/20 0.34
SSTR4 P31391 3/20 0.33
CYP17A1 P05093 1/20 0.32
CYP1A2 P05177 1/20 0.32
MAPK14 Q16539 1/20 0.32
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
KDM4E B2RXH2 3/20 0.32
NPC1 O15118 3/20 0.32
TP53 P04637 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
RAB9A P51151 2/20 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
SCHEMBL21863437 0.79 DRD2 (0.41) DRD2DRD4DRD3TLR8TSHR
SCHEMBL33682 0.79 SMPD3 (0.31) TLR8TSHRMEN1KMT2AKDM4E
SCHEMBL24729869 0.76 DRD2 (0.40) DRD2DRD4DRD3TLR8PIK3CA
SCHEMBL23089307 0.76 DRD2 (0.40) DRD2DRD4DRD3TLR8PIK3CA
SCHEMBL27752780 0.76 PDE4B (0.33) TLR8MEN1KMT2AALDH1A1MAPT
SCHEMBL20731191 0.76 TLR8 (0.33) TLR8CYP1A2HTTPOLB
SCHEMBL16252831 0.74 TLR8 (0.61) TLR8
SCHEMBL16252869 0.74 SSTR4 (0.43) DRD2DRD4DRD3TLR8PIK3CA
SCHEMBL23132317 0.73 DRD2 (0.38) DRD2DRD4DRD3TLR8TSHR
SCHEMBL23109051 0.73 DRD2 (0.50) DRD2DRD4DRD3TLR8PIK3CA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020033707-A1 CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS FORMA THERAPEUTICS, INC. (US) 2020-02-13 WO disclosed
WO-2019032863-A1 CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS FORMA THERAPEUTICS, INC. (US) 2019-02-14 WO disclosed