SCHEMBL30656122

SCHEMBL30656122

CNc1nc(SC)ncc1C(=O)Nc1c(F)cccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 3/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 2/20 0.45
AHR P35869 1/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
TNK2 Q07912 2/20 0.44
PDE4B Q07343 2/20 0.43
POLB P06746 1/20 0.42
THRB P10828 1/20 0.42
ALDH1A1 P00352 1/20 0.42
JAK1 P23458 1/20 0.41
JAK3 P52333 1/20 0.41

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
SCHEMBL16824859 1.00 RXFP1 (0.48) RXFP1MEN1KMT2AMAPTAHR
SCHEMBL16824896 0.92 RXFP1 (0.52) RXFP1MEN1KMT2AMAPTAHR
SCHEMBL16824972 0.88 RXFP1 (0.58) RXFP1MEN1KMT2AMAPTAHR
SCHEMBL15206053 0.87 MEN1 (0.62) RXFP1MEN1KMT2AMAPTAHR
SCHEMBL30656466 0.87 MEN1 (0.62) RXFP1MEN1KMT2AMAPTAHR
SCHEMBL20874058 0.87 RXFP1 (0.49) RXFP1MEN1KMT2AMAPTAHR
SCHEMBL15207007 0.85 LMNA (0.54) RXFP1MEN1KMT2AMAPTAHR
SCHEMBL28094395 0.84 RXFP1 (0.46) RXFP1MEN1KMT2AMAPTAHR
SCHEMBL16824895 0.82 MAPT (0.67) RXFP1MEN1KMT2AMAPTAHR
SCHEMBL16824904 0.80 RXFP1 (0.48) RXFP1MEN1KMT2AMAPTAHR

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-2023217201-A2 NOVEL PYRIMIDO-HETEROCYCLIC NOVEL COMPOUND SERVING AS WEE1 INHIBITOR AND APPLICATION THEREOF 杭州德睿智药科技有限公司 2023-11-16 WO disclosed