SCHEMBL28824955

SCHEMBL28824955

Cc1ccc(Nc2ncccc2C(N)=O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 1.00
SMN1; SMN2 Q16637 7/20 1.00
MAPT P10636 7/20 1.00
NPC1 O15118 7/20 1.00
AHR P35869 1/20 1.00
ALDH1A1 P00352 6/20 0.62
LMNA P02545 2/20 0.60
HPGD P15428 2/20 0.56
DHODH Q02127 4/20 0.56
HTT P42858 2/20 0.56
MEN1 O00255 6/20 0.55
KMT2A Q03164 6/20 0.55
KCNH2 Q12809 1/20 0.55
KDM4E B2RXH2 3/20 0.55
HSD17B10 Q99714 1/20 0.55
NPSR1 Q6W5P4 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
GAA P10253 2/20 0.52
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51

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
SCHEMBL29898269 1.00 RAB9A (1.00) RAB9ASMN1; SMN2MAPTNPC1AHR
SCHEMBL12431830 0.86 DHODH (0.77) RAB9ASMN1; SMN2MAPTNPC1AHR
SCHEMBL479805 0.86 DHODH (0.76) RAB9ASMN1; SMN2MAPTNPC1AHR
SCHEMBL29133468 0.85 RAB9A (0.74) RAB9ASMN1; SMN2MAPTNPC1AHR
SCHEMBL28824933 0.85 RAB9A (0.76) RAB9ASMN1; SMN2MAPTNPC1AHR
SCHEMBL29898323 0.85 RAB9A (0.76) RAB9ASMN1; SMN2MAPTNPC1AHR
SCHEMBL29421217 0.84 RAB9A (0.73) RAB9ASMN1; SMN2MAPTNPC1AHR
SCHEMBL29898266 0.84 RAB9A (0.78) RAB9ASMN1; SMN2MAPTNPC1AHR
SCHEMBL28949513 0.84 RAB9A (0.78) RAB9ASMN1; SMN2MAPTNPC1AHR
SCHEMBL5083062 0.84 RAB9A (0.72) RAB9ASMN1; SMN2MAPTNPC1AHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116574053-A RIPK1 kinase target inhibitor and medical application thereof 中国药科大学 2023-08-11 CN disclosed
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