SCHEMBL30280756

SCHEMBL30280756

CCc1nnc(-c2cc(C(=O)OC)c(CC)c(C3CCC3)c2)[nH]1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.35
PDK4 Q16654 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CDK2 P24941 2/20 0.31
CDK9 P50750 2/20 0.31
CDK5 Q00535 2/20 0.31
CCNT1 O60563 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK5R1 Q15078 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
JAK3 P52333 1/20 0.31
HTR2C P28335 1/20 0.30
PLAT P00750 1/20 0.30
PFKFB3 Q16875 1/20 0.30
PRMT5 O14744 1/20 0.30
CHUK O15111 1/20 0.30
INSR P06213 1/20 0.30
MAPK8 P45983 1/20 0.30

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
SCHEMBL30281063 0.88 CAMKK2 (0.35) CAMKK2
SCHEMBL12489252 0.79 FASN (0.41) PDK2PDK4MEN1KMT2A
SCHEMBL12489180 0.78 FASN (0.42)
SCHEMBL30280872 0.77 PDK2 (0.39) PDK2PDK4MEN1KMT2ACDK2
SCHEMBL30280964 0.77 JAK1 (0.35) PDK2PDK4MEN1KMT2AJAK2
SCHEMBL30280843 0.75 OPRK1 (0.37) PDK2PDK4MEN1KMT2A
SCHEMBL30281129 0.73 FASN (0.43) PDK2PDK4HTR2CPRMT5CAMKK2
SCHEMBL30280747 0.72 PDK2 (0.38) PDK2PDK4
SCHEMBL30280863 0.70 DRD2 (0.32) PDK2PDK4MEN1KMT2A
SCHEMBL30280981 0.70 PDK2 (0.37) PDK2PDK4MEN1KMT2A

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-116139138-A Heterocyclic modulators of lipid synthesis 3-V生物科学股份有限公司 2023-05-23 CN disclosed
CN-110177551-B Heterocyclic modulators of lipid synthesis 3-V生物科学股份有限公司 2023-02-17 CN disclosed