SCHEMBL20042728

SCHEMBL20042728

Cc1nc2c(c(N3CCC3)n1)CN(C(=O)c1ccc(C#N)cc1)C2

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.42
SLC6A7 Q99884 1/20 0.42
FASN P49327 8/20 0.41
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40
PDE2A O00408 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GPR6 P46095 1/20 0.38
GBA1 P04062 2/20 0.38
EPHX2 P34913 1/20 0.38
HTR1A P08908 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38

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
SCHEMBL20042721 0.88 GRM5 (0.47) MEN1KMT2ASLC6A7PDE2AL3MBTL1
SCHEMBL20042817 0.88 PKM (0.44) MEN1KMT2AALDH1A1SLC6A7GBA1
SCHEMBL20043028 0.86 KDM4E (0.40) MEN1KMT2AALDH1A1FASNL3MBTL1
SCHEMBL20042903 0.86 MEN1 (0.42) MEN1KMT2AALDH1A1FASNL3MBTL1
SCHEMBL20042685 0.85 HTT (0.42) SLC6A7L3MBTL1GBA1EPHX2
SCHEMBL20042751 0.85 HSD17B10 (0.49) MEN1KMT2AALDH1A1GBA1
SCHEMBL20042839 0.85 P2RX7 (0.45) MEN1KMT2AALDH1A1L3MBTL1GBA1
SCHEMBL20042754 0.85 MEN1 (0.41) MEN1KMT2AALDH1A1FASNL3MBTL1
SCHEMBL20042713 0.85 GRM5 (0.45) MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL20042656 0.85 KDM4E (0.37) MEN1KMT2AALDH1A1FASNL3MBTL1

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
WO-2018066718-A1 THERAPEUTIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-04-12 WO disclosed