SCHEMBL29354571

SCHEMBL29354571

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 1/20 0.38
ADCY10 Q96PN6 2/20 0.36
CIT O14578 1/20 0.35
ROCK2 O75116 1/20 0.35
PRKCB P05771 1/20 0.35
PRKCA P17252 1/20 0.35
PRKACA P17612 1/20 0.35
PRKACB P22694 1/20 0.35
AKT1 P31749 1/20 0.35
AKT2 P31751 1/20 0.35
ROCK1 Q13464 1/20 0.35
PKN1 Q16512 1/20 0.35
PRKD2 Q9BZL6 1/20 0.35
AKT3 Q9Y243 1/20 0.35
IDH1 O75874 1/20 0.35
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
CASR P41180 1/20 0.34
MAOB P27338 1/20 0.33
PARP10 Q53GL7 1/20 0.33

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
SCHEMBL29356705 0.86 GPR52 (0.39) GPR52ADCY10IDH1S1PR1S1PR3
SCHEMBL29356603 0.81 SCD (0.42) GPR52CITROCK2PRKCBPRKCA
SCHEMBL29357230 0.78 GPR52 (0.41) GPR52ROCK2IDH1LMNA
SCHEMBL29356876 0.75 HPGDS (0.38) GPR52ADCY10IDH1MAOBPARP10
SCHEMBL29357160 0.75 BRD4 (0.38) GPR52ADCY10IDH1CASRMAOB
SCHEMBL21395094 0.73 MAPT (0.49) NTRK1SCDSCD5ALDH1A1ABCC8
SCHEMBL29358258 0.70 SCD (0.38) GPR52IDH1MAOBPARP10SCD
SCHEMBL29355412 0.69 AURKA (0.44) GPR52PRKACAROCK1IDH1PDE4D
SCHEMBL21384289 0.68 ADCY10 (0.42) GPR52ADCY10
SCHEMBL29356546 0.67 GAA (0.39) GPR52ADCY10GAABRD4LMNA

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