SCHEMBL28824952

SCHEMBL28824952

COc1ccc(Nc2cnc(Nc3cc(C)cc(F)c3)c(C(N)=O)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
TP53 P04637 2/20 0.46
CSF1R P07333 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
GAA P10253 3/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
SYK P43405 2/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
AHR P35869 1/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
GFER P55789 1/20 0.42

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
SCHEMBL29898313 1.00 MAPT (0.46) MAPTTP53CSF1RSMN1; SMN2GAA
SCHEMBL28824923 0.89 HDAC3 (0.48) MAPTCSF1RSMN1; SMN2NPC1RAB9A
SCHEMBL29898302 0.89 KDR (0.49) MAPTTP53SMN1; SMN2GAANPC1
SCHEMBL28824932 0.89 KDR (0.49) MAPTTP53SMN1; SMN2GAANPC1
SCHEMBL28824937 0.88 AKR1C3 (0.46) MAPTTP53CSF1RSMN1; SMN2NPC1
SCHEMBL29898299 0.88 AKR1C3 (0.46) MAPTTP53CSF1RGAASYK
SCHEMBL28824927 0.88 AKR1C3 (0.46) MAPTTP53CSF1RGAASYK
SCHEMBL28824948 0.87 LMNA (0.48) MAPTCSF1RSMN1; SMN2NPC1RAB9A
SCHEMBL29898301 0.87 LMNA (0.48) MAPTCSF1RSMN1; SMN2NPC1RAB9A
SCHEMBL28949528 0.85 SYK (0.44) MAPTCSF1RSMN1; SMN2NPC1RAB9A

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