SCHEMBL21394745

SCHEMBL21394745

N#Cc1cc(F)cc(Cc2ccc(NC(=O)c3ccnc(Cl)n3)nc2)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TMPRSS4 Q9NRS4 1/20 0.39
CYP3A4 P08684 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
GPR52 Q9Y2T5 1/20 0.38
JAK2 O60674 1/20 0.36
IGF1R P08069 1/20 0.36
PDGFRB P09619 1/20 0.36
MAPT P10636 1/20 0.36
KIT P10721 1/20 0.36
PIM1 P11309 1/20 0.36
JAK1 P23458 1/20 0.36
CDK2 P24941 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
CDK5 Q00535 1/20 0.36
PRKCQ Q04759 1/20 0.36
BTK Q06187 1/20 0.36
MAPK14 Q16539 1/20 0.36
AURKB Q96GD4 1/20 0.36

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
SCHEMBL21394779 0.90 GPR6 (0.41) GPR52
SCHEMBL29356981 0.90 GPR6 (0.41) GPR52
SCHEMBL21394938 0.85 TMPRSS4 (0.47) TMPRSS4SIRT2
SCHEMBL21395002 0.84 TMPRSS4 (0.41) TMPRSS4CYP3A4SIRT2
SCHEMBL21395016 0.82 CHEK1 (0.40) TMPRSS4CYP3A4SIRT2
SCHEMBL21394714 0.82 GRM5 (0.45) CYP3A4
SCHEMBL21395185 0.81 TMPRSS4 (0.49) TMPRSS4SIRT2
SCHEMBL21395023 0.80 DEGS1 (0.40) CYP3A4SIRT2
SCHEMBL21394875 0.80 EP300 (0.42) GSK3B
SCHEMBL29358580 0.80 EP300 (0.42) GSK3B

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-2020198026-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-10-01 WO disclosed
WO-2019183587-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2019-09-26 WO disclosed