SCHEMBL28824931

SCHEMBL28824931

Cc1cc(F)cc(Nc2ncc(Nc3ccc(C)c(C)c3)cc2C(N)=O)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
LMNA P02545 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SYK P43405 10/20 0.43
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
AHR P35869 1/20 0.41
CSF1R P07333 2/20 0.40
BTK Q06187 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
SCHEMBL29898255 1.00 MAPT (0.45) MAPTNPC1RAB9ALMNAMEN1
SCHEMBL28824923 0.91 HDAC3 (0.48) MAPTNPC1RAB9ALMNASYK
SCHEMBL29898301 0.87 LMNA (0.48) MAPTNPC1RAB9ALMNASYK
SCHEMBL28824948 0.87 LMNA (0.48) MAPTNPC1RAB9ALMNASYK
SCHEMBL28824952 0.85 MAPT (0.46) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL29898313 0.85 MAPT (0.46) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL28949528 0.85 SYK (0.44) MAPTNPC1RAB9ALMNASYK
SCHEMBL28824953 0.85 NPC1 (0.45) MAPTNPC1RAB9ALMNAMEN1
SCHEMBL29898300 0.85 SYK (0.44) MAPTNPC1RAB9ALMNASYK
SCHEMBL28824917 0.84 LMNA (0.43) MAPTNPC1RAB9ALMNASYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114989079-B RIPK1 kinase target inhibitor and medical application thereof 中国药科大学 2023-06-23 CN disclosed
CN-114989079-A RIPK1 kinase target inhibitor and medical application thereof 中国药科大学 2022-09-02 CN disclosed