SCHEMBL17948

SCHEMBL17948

CC#CC(=O)CN(CCNC(=O)OC(C)(C)C)C(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.47
SYK P43405 1/20 0.45
CCR6 P51684 1/20 0.44
PAX8 Q06710 1/20 0.44
CKS1B P61024 1/20 0.44
SKP1 P63208 1/20 0.44
SKP2 Q13309 1/20 0.44
MAPT P10636 2/20 0.41
CTSS P25774 2/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
AKT1 P31749 2/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SIGMAR1 Q99720 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 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
SCHEMBL2685379 0.87 SYK (0.50) IDO1SYKCCR6PAX8CKS1B
SCHEMBL12093506 0.86 SYK (0.49) IDO1SYKCCR6PAX8CKS1B
SCHEMBL7419081 0.85 SYK (0.48) IDO1SYKCCR6PAX8CKS1B
SCHEMBL15716592 0.85 SYK (0.55) IDO1SYKCCR6PAX8CKS1B
SCHEMBL2748437 0.84 SYK (0.49) IDO1SYKCCR6PAX8CKS1B
SCHEMBL16490057 0.83 SYK (0.49) IDO1SYKCCR6PAX8CKS1B
SCHEMBL25346745 0.83 CCR6 (0.52) IDO1SYKCCR6PAX8CKS1B
SCHEMBL25970217 0.83 SYK (0.53) IDO1SYKCCR6PAX8CKS1B
SCHEMBL2880062 0.81 SYK (0.47) IDO1SYKCCR6PAX8CKS1B
SCHEMBL8089817 0.81 SYK (0.48) IDO1SYKCCR6PAX8CKS1B

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-113620944-B Novel RET inhibitors, pharmaceutical compositions thereof and uses thereof 广东东阳光药业股份有限公司 2024-10-15 CN disclosed
WO-2012027261-A1 SULFONYLPIPERAZINE DERIVATIVES THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN FOR THE TREATMENT OF DIABETES AMGEN INC. (US) 2012-03-01 WO disclosed