SCHEMBL31016261

SCHEMBL31016261

NC(=O)c1cn(C2CCCC2)c(=O)n(-c2ccc(F)cc2)c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MET P08581 5/20 0.43
AXL P30530 8/20 0.41
MERTK Q12866 8/20 0.41
HPGD P15428 3/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PARP1 P09874 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
GLA P06280 1/20 0.39
POLB P06746 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
TGFBR1 P36897 1/20 0.39
TYRO3 Q06418 3/20 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
SCHEMBL31316523 0.90 MET (0.47) MEN1KMT2AMETAXLMERTK
SCHEMBL14968986 0.88 KDM4E (0.45) MEN1KMT2AMETAXLMERTK
SCHEMBL14969213 0.86 MET (0.45) METAXLMERTKHPGDALDH1A1
SCHEMBL21777695 0.84 KDM4E (0.43) METAXLMERTKHPGDALDH1A1
SCHEMBL30672485 0.83 KMT2A (0.49) MEN1KMT2AHPGDALDH1A1KDM4E
SCHEMBL23071014 0.81 KDM4E (0.46) METAXLMERTKHPGDALDH1A1
SCHEMBL14969072 0.79 MET (0.48) METAXLMERTKHPGDALDH1A1
SCHEMBL23081448 0.79 POLB (0.40) MEN1KMT2AMETAXLMERTK
SCHEMBL29814385 0.78 LMNA (0.47) MEN1KMT2AHPGDALDH1A1KDM4E
SCHEMBL30031388 0.78 AXL (0.52) METAXLMERTKTYRO3

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
CN-118388417-A Pyrimidine derivative and preparation method and application thereof 河北科技大学 2024-07-26 CN disclosed