SCHEMBL28720995

SCHEMBL28720995

CNC(=O)c1ccc(N[C@@H]2CCC[C@H](OC(N)=O)C2)c(N)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.52
CHEK1 O14757 1/20 0.38
NTRK1 P04629 1/20 0.38
MET P08581 1/20 0.38
PIM1 P11309 1/20 0.38
LTK P29376 1/20 0.38
GRK5 P34947 1/20 0.38
MAP2K2 P36507 1/20 0.38
CDK8 P49336 1/20 0.38
NEK2 P51955 1/20 0.38
LIMK1 P53667 1/20 0.38
TYRO3 Q06418 1/20 0.38
MAP4K2 Q12851 1/20 0.38
DYRK1A Q13627 1/20 0.38
AURKB Q96GD4 1/20 0.38
HDAC8 Q9BY41 1/20 0.37
PDE5A O76074 2/20 0.36
SYK P43405 1/20 0.36
PDE4D Q08499 6/20 0.36
PDE4A P27815 5/20 0.36

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
SCHEMBL28721996 0.85 HCAR3 (0.56) PDE5AHCAR3
SCHEMBL29824742 0.81 ALOX15 (0.74) ALOX15CHEK1NTRK1METPIM1
SCHEMBL23591998 0.81 ALOX15 (0.74) ALOX15CHEK1NTRK1METPIM1
SCHEMBL29517779 0.81 ALOX15 (0.55) ALOX15CHEK1NTRK1METPIM1
SCHEMBL29628982 0.78 ALOX15 (0.49) ALOX15CHEK1NTRK1METPIM1
SCHEMBL29883452 0.75 ALOX15 (0.51) ALOX15PTGER4
SCHEMBL29882859 0.74 ALOX15 (0.47) ALOX15CHEK1NTRK1METPIM1
SCHEMBL27275947 0.73 ALOX15 (0.61) ALOX15CHEK1NTRK1METPIM1
SCHEMBL5836935 0.72 ALOX15 (0.70) ALOX15CHEK1NTRK1METPIM1
SCHEMBL21311001 0.71 ALOX15 (0.59) ALOX15PTGER4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114364664-A BCAT modulation 伊卡根有限责任公司 2022-04-15 CN disclosed