SCHEMBL28824917

SCHEMBL28824917

Cc1cc(F)cc(Nc2ncc(Nc3ccccc3C)cc2C(N)=O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
SYK P43405 5/20 0.43
TYK2 P29597 3/20 0.42
CSF1R P07333 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MAPT P10636 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
AHR P35869 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
STAT3 P40763 1/20 0.40
JAK3 P52333 1/20 0.40
HTT P42858 1/20 0.40
MAPK9 P45984 1/20 0.39
MAPK10 P53779 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
SCHEMBL29898289 1.00 LMNA (0.43) LMNASYKTYK2CSF1RHDAC3
SCHEMBL28824930 0.90 SMN1; SMN2 (0.48) LMNASYKTYK2CSF1RMAPT
SCHEMBL28824948 0.88 LMNA (0.48) LMNASYKTYK2CSF1RHDAC3
SCHEMBL29898301 0.88 LMNA (0.48) LMNASYKTYK2CSF1RHDAC3
SCHEMBL28824923 0.88 HDAC3 (0.48) LMNASYKTYK2CSF1RHDAC3
SCHEMBL28824929 0.86 CSF1R (0.45) LMNASYKTYK2CSF1RHDAC3
SCHEMBL28824919 0.85 BLK (0.49) LMNASYKTYK2HDAC3HDAC1
SCHEMBL28824927 0.85 AKR1C3 (0.46) SYKCSF1RMAPTJAK2JAK1
SCHEMBL28824931 0.84 MAPT (0.45) LMNASYKCSF1RHDAC3HDAC1
SCHEMBL29898255 0.84 MAPT (0.45) LMNASYKCSF1RHDAC3HDAC1

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