SCHEMBL21394983

SCHEMBL21394983

Cn1nc(C(=O)Nc2cnn(Cc3cccc(Cl)c3)c2)ccc1=O

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 11/20 0.58
ITK Q08881 1/20 0.58
NAMPT P43490 1/20 0.54
SCD O00767 12/20 0.53
FSCN1 Q16658 1/20 0.52
MEN1 O00255 1/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
KMT2A Q03164 1/20 0.51
TSHR P16473 1/20 0.49
TAS2R8 Q9NYW2 1/20 0.48

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
SCHEMBL29353742 1.00 SCD5 (0.58) SCD5ITKNAMPTSCDFSCN1
SCHEMBL21394917 0.80 TSHR (0.54) MEN1LMNAMAPTKMT2ATSHR
SCHEMBL29353982 0.80 TSHR (0.54) MEN1LMNAMAPTKMT2ATSHR
SCHEMBL21394622 0.80 TSHR (0.51) MEN1LMNAMAPTKMT2ATSHR
SCHEMBL21394489 0.79 TSHR (0.50) FSCN1MEN1LMNAMAPTKMT2A
SCHEMBL21394957 0.78 ITK (0.58) SCD5ITKNAMPTSCDFSCN1
SCHEMBL22557197 0.77 ITK (0.64) SCD5ITKNAMPTSCDMEN1
SCHEMBL21394760 0.75 L3MBTL1 (0.47) MEN1LMNAMAPTKMT2ATSHR
SCHEMBL29354586 0.75 L3MBTL1 (0.47) MEN1LMNAMAPTKMT2ATSHR
SCHEMBL22479698 0.74 ITK (0.54) SCD5ITKNAMPTSCDMEN1

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