SCHEMBL21395023

SCHEMBL21395023

N#Cc1cc(F)cc(Cc2ccc(NC(=O)c3ccnnc3)nc2)c1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DEGS1 O15121 1/20 0.40
CYP3A4 P08684 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
WNT3A P56704 2/20 0.39

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
SCHEMBL21394654 0.90 WNT3A (0.44) DEGS1WNT3A
SCHEMBL21394743 0.88 SIRT2 (0.46) DEGS1CYP3A4SIRT2
SCHEMBL21394952 0.86 KCNQ3 (0.44) DEGS1CYP3A4SIRT2
SCHEMBL21395179 0.85 GCK (0.42) DEGS1CYP3A4SIRT2
SCHEMBL21394938 0.82 TMPRSS4 (0.47) SIRT2
SCHEMBL21395131 0.82 CYP3A4 (0.43) DEGS1CYP3A4SIRT2
SCHEMBL21394854 0.82 WNT3A (0.52) SIRT2WNT3A
SCHEMBL29359193 0.82 WNT3A (0.52) SIRT2WNT3A
SCHEMBL21395029 0.82 GCK (0.40) DEGS1CYP3A4SIRT2
SCHEMBL29358537 0.80 GCK (0.41) DEGS1CYP3A4

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