SCHEMBL22911968

SCHEMBL22911968

Cc1nc(N2CCCC2)c2ccc(N(C)C=O)cc2n1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPY5R Q15761 15/20 0.41
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ENPP1 P22413 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
SCHEMBL22911939 0.80 MEN1 (0.46) MEN1KMT2AMAPK1HSD17B10L3MBTL1
SCHEMBL5495835 0.80 MEN1 (0.51) MEN1KMT2AMAPK1HSD17B10L3MBTL1
SCHEMBL22911990 0.76 HRH4 (0.41) KDM4E
SCHEMBL5412125 0.74 MEN1 (0.60) MEN1KMT2AMAPK1HSD17B10L3MBTL1
SCHEMBL5490225 0.74 MEN1 (0.60) MEN1KMT2AMAPK1HSD17B10L3MBTL1
SCHEMBL5491482 0.74 MEN1 (0.60) MEN1KMT2AMAPK1HSD17B10L3MBTL1
SCHEMBL5403899 0.73 MEN1 (0.62) MEN1KMT2AMAPK1HSD17B10L3MBTL1
SCHEMBL5400137 0.73 MEN1 (0.62) MEN1KMT2AMAPK1HSD17B10L3MBTL1
SCHEMBL22911938 0.72 MEN1 (0.57) MEN1KMT2AMAPK1HSD17B10L3MBTL1
SCHEMBL22911882 0.72 MEN1 (0.53) MEN1KMT2AMAPK1HSD17B10L3MBTL1

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-2021011796-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES KINNATE BIOPHARMA INC. (US) 2021-01-21 WO disclosed