SCHEMBL28565443

SCHEMBL28565443

Cc1cc(C(N)=O)nc(C)c1-n1nccn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
NQO2 P16083 2/20 0.36
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
GRM2 Q14416 5/20 0.33
POLB P06746 1/20 0.33
PKMYT1 Q99640 3/20 0.33
HCRTR1 O43613 3/20 0.32
HCRTR2 O43614 3/20 0.32
PIM1 P11309 2/20 0.32
WEE1 P30291 2/20 0.32
MYT1 Q01538 2/20 0.32
CDK1 P06493 1/20 0.32
CREBBP Q92793 1/20 0.32
AURKA O14965 1/20 0.32
JAK2 O60674 1/20 0.32
NTRK1 P04629 1/20 0.32
RET P07949 1/20 0.32
FGFR1 P11362 1/20 0.32

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
SCHEMBL28550860 0.76 MAPK1 (0.34) LMNAPOLBHCRTR1HCRTR2
SCHEMBL11942291 0.73 LMNA (0.47) LMNANQO2DPP4DPP8GRM2
SCHEMBL16751985 0.70 LMNA (0.44) LMNADPP4DPP8GRM2POLB
SCHEMBL16648903 0.66 SIRT3 (0.42) PKMYT1HCRTR1HCRTR2
SCHEMBL30625387 0.65 NOS3 (0.48) LMNAL3MBTL1POLB
SCHEMBL12487400 0.65 LMNA (0.45) LMNADPP4DPP8GRM2POLB
SCHEMBL22362576 0.65 SIRT3 (0.34) LMNAPKMYT1HCRTR1HCRTR2
SCHEMBL7718641 0.64 LMNA (0.54) LMNANQO2GRM2POLBPIM1
SCHEMBL3999989 0.64 NOS3 (0.46) LMNADPP4DPP8L3MBTL1GRM2
SCHEMBL9426333 0.64 LMNA (0.48) LMNANQO2L3MBTL1GRM2POLB

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-108779098-B Therapeutic compounds 希四克斯探索有限公司 2021-04-09 CN disclosed