SCHEMBL28824937

SCHEMBL28824937

COc1ccc(Nc2cnc(Nc3cc(C)cc(F)c3)c(C(N)=O)c2)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
CSF1R P07333 5/20 0.43
SYK P43405 4/20 0.42
DHODH Q02127 4/20 0.41
MAPK10 P53779 3/20 0.41
PDE4B Q07343 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPK8 P45983 1/20 0.40
NUDT1 P36639 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
SCHEMBL28824927 0.92 AKR1C3 (0.46) AKR1C3AKR1C2TP53MAPTCSF1R
SCHEMBL29898299 0.92 AKR1C3 (0.46) AKR1C3AKR1C2TP53MAPTCSF1R
SCHEMBL28824929 0.90 CSF1R (0.45) TP53MAPTCSF1RSYKDHODH
SCHEMBL28824952 0.88 MAPT (0.46) AKR1C3AKR1C2TP53MAPTCSF1R
SCHEMBL29898313 0.88 MAPT (0.46) AKR1C3AKR1C2TP53MAPTCSF1R
SCHEMBL28824923 0.83 HDAC3 (0.48) MAPTCSF1RSYKNPC1RAB9A
SCHEMBL28824917 0.81 LMNA (0.43) MAPTCSF1RSYKDHODHMAPK10
SCHEMBL29898289 0.81 LMNA (0.43) MAPTCSF1RSYKDHODHMAPK10
SCHEMBL28824948 0.79 LMNA (0.48) MAPTCSF1RSYKDHODHNPC1
SCHEMBL29898301 0.79 LMNA (0.48) MAPTCSF1RSYKDHODHNPC1

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