SCHEMBL211844

SCHEMBL211844

N#Cc1ccc(NC=O)nc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TMPRSS4 Q9NRS4 1/20 0.43
USP30 Q70CQ3 1/20 0.42
DPP4 P27487 6/20 0.40
FGFR4 P22455 3/20 0.40
DEGS1 O15121 1/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
CCR6 P51684 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP7 Q9UHL4 1/20 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
SCHEMBL13594028 0.81 MEN1 (0.43) MEN1KMT2ATMPRSS4USP30DPP4
SCHEMBL1344704 0.81 KDM4E (0.43) MEN1KMT2ATMPRSS4USP30DEGS1
SCHEMBL402112 0.79 DPP4 (0.51) MEN1KMT2ATMPRSS4USP30DPP4
SCHEMBL8989496 0.78 TMPRSS4 (0.47) MEN1KMT2ATMPRSS4USP30DEGS1
SCHEMBL13593262 0.77 MEN1 (0.43) MEN1KMT2ATMPRSS4USP30DPP4
SCHEMBL10164879 0.77 MEN1 (0.43) MEN1KMT2ATMPRSS4USP30DPP4
SCHEMBL24991566 0.76 MEN1 (0.45) MEN1KMT2ATMPRSS4USP30DEGS1
SCHEMBL479494 0.76 KDM4E (0.46) MEN1KMT2ATMPRSS4USP30DEGS1
SCHEMBL247841 0.76 KDM4E (0.57) MEN1KMT2ATMPRSS4USP30DEGS1
SCHEMBL30401857 0.76 KDM4E (0.46) MEN1KMT2ATMPRSS4USP30DEGS1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019234237-A1 HETEROCYCLIC COMPOUNDS AS CLASS II PHOSPHOINOSITIDE 3-KINASE INHIBITORS FORSCHUNGSVERBUND BERLIN E.V. (DE) 2019-12-12 WO disclosed
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 US disclosed
WO-1996025426-A9 NOVEL DIPEPTIDE AMIDINES AS THROMBIN INHIBITORS 1997-06-12 WO disclosed