SCHEMBL28824932

SCHEMBL28824932

Cc1cc(F)cc(Nc2ncc(Nc3ccc(Oc4ccccc4)cc3)cc2C(N)=O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.49
SYK P43405 6/20 0.44
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
AHR P35869 1/20 0.42
RAB9A P51151 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
BTK Q06187 2/20 0.41
BLK P51451 1/20 0.41
LMNA P02545 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
TP53 P04637 1/20 0.40
CHRNA7 P36544 1/20 0.40
MAPK8 P45983 2/20 0.39
MAPK10 P53779 1/20 0.39
EGFR P00533 1/20 0.39
MAPK9 P45984 1/20 0.39
GAA P10253 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
SCHEMBL29898302 1.00 KDR (0.49) KDRSYKMAPTSMN1; SMN2NPC1
SCHEMBL28824948 0.91 LMNA (0.48) SYKMAPTSMN1; SMN2NPC1AHR
SCHEMBL29898301 0.91 LMNA (0.48) SYKMAPTSMN1; SMN2NPC1AHR
SCHEMBL29898313 0.89 MAPT (0.46) SYKMAPTSMN1; SMN2NPC1AHR
SCHEMBL28824952 0.89 MAPT (0.46) SYKMAPTSMN1; SMN2NPC1AHR
SCHEMBL28824923 0.86 HDAC3 (0.48) SYKMAPTSMN1; SMN2NPC1AHR
SCHEMBL29898300 0.83 SYK (0.44) KDRSYKMAPTSMN1; SMN2NPC1
SCHEMBL28949528 0.83 SYK (0.44) KDRSYKMAPTSMN1; SMN2NPC1
SCHEMBL29898255 0.83 MAPT (0.45) SYKMAPTSMN1; SMN2NPC1AHR
SCHEMBL28824931 0.83 MAPT (0.45) SYKMAPTSMN1; SMN2NPC1AHR

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