SCHEMBL29356705

SCHEMBL29356705

Cn1nc(C(N)=O)c(-c2nc(C#N)c(Cc3cccc(F)c3)s2)cc1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 3/20 0.39
RIPK1 Q13546 2/20 0.34
IDH1 O75874 1/20 0.33
BTK Q06187 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
GAA P10253 1/20 0.33
RECQL P46063 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
ADORA2A P29274 1/20 0.33
CASR P41180 1/20 0.33
KDM4E B2RXH2 2/20 0.32
PKM P14618 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAOB P27338 1/20 0.32
PARP10 Q53GL7 1/20 0.32
ADCY10 Q96PN6 2/20 0.32
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL29354571 0.86 GPR52 (0.38) GPR52IDH1ALDH1A1HPGDGAA
SCHEMBL29356603 0.79 SCD (0.42) GPR52IDH1MAOBPARP10LMNA
SCHEMBL29357230 0.76 GPR52 (0.41) GPR52IDH1BTKLMNA
SCHEMBL21394964 0.74 MAPT (0.46) RIPK1ALDH1A1GAARECQLKDM4E
SCHEMBL29356876 0.73 HPGDS (0.38) GPR52IDH1MAOBPARP10ADCY10
SCHEMBL29357160 0.73 BRD4 (0.38) GPR52IDH1CASRMAOBPARP10
SCHEMBL21383966 0.70 DRD2 (0.40) GPR52ADORA2AKDM4E
SCHEMBL29358258 0.68 SCD (0.38) GPR52IDH1PKMMAOBPARP10
SCHEMBL29358556 0.67 IDH1 (0.40) GPR52RIPK1IDH1
SCHEMBL29355412 0.67 AURKA (0.44) GPR52IDH1

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
EP-3941908-A1 COMPOUNDS AND USES THEREOF Yumanity Therapeutics, Inc. (US) 2022-01-26 EP disclosed