SCHEMBL29811981

SCHEMBL29811981

Cc1cc(=O)c(C(N)=O)cn1C(C)C

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
LMNA P02545 1/20 0.39
RECQL P46063 1/20 0.39
ALDH1A1 P00352 1/20 0.37
ADRA1D P25100 8/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
PIM1 P11309 1/20 0.34
TTK P33981 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
KMT2A Q03164 1/20 0.33
ADRA1A P35348 2/20 0.32
ADRA2B P18089 1/20 0.32
PARP1 P09874 1/20 0.32
PARP15 Q460N3 1/20 0.32
PARP10 Q53GL7 1/20 0.32
ADRA1B P35368 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.31
TGFBR1 P36897 1/20 0.31
TGFBR2 P37173 1/20 0.31

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
SCHEMBL15486207 0.84 LMNA (0.54) POLBLMNARECQLALDH1A1
SCHEMBL28838264 0.83 ADRA1D (0.36) POLBLMNARECQLADRA1DL3MBTL1
SCHEMBL29812644 0.77 MAP2K1 (0.41) POLBLMNARECQLALDH1A1
SCHEMBL29626235 0.70 PIM1 (0.33) POLBL3MBTL1PIM1TTKPIM2
SCHEMBL19900700 0.69 CYP2C19 (0.46) ALDH1A1PIM1TTKPIM2KMT2A
SCHEMBL29868051 0.69 TYR (0.44) ALDH1A1ADRA1D
SCHEMBL29720954 0.68 PIM1 (0.33) ADRA1DPIM1TTKPIM2KMT2A
SCHEMBL29811977 0.67 IRAK4 (0.35) ALDH1A1ADRA1DPARP1IRAK4
SCHEMBL28341822 0.66 CCNC (0.47) ALDH1A1
Hydrochloric Acid SCHEMBL29812364 0.66 IRAK4 (0.34) ADRA1DADRA1APARP1ADRA1BIRAK4

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-114787144-A Pyridone compounds and methods for modulating protein kinases 埃克塞里艾克西斯公司 2022-07-22 CN disclosed