SCHEMBL28940409

SCHEMBL28940409

Cn1cc(C(=O)Cn2nc(C(=O)O)cc2C(=O)O)cn1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRN P28799 1/20 0.37
SORT1 Q99523 1/20 0.37
MAP4K4 O95819 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
CHEK1 O14757 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
P2RY14 Q15391 5/20 0.34
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
LMNA P02545 2/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
MET P08581 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PIM1 P11309 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
RIPK1 Q13546 1/20 0.33
VNN1 O95497 1/20 0.33

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
SCHEMBL31131706 0.81 MET (0.36) GRNSORT1SMN1; SMN2LMNAMAPT
SCHEMBL17801148 0.79 LMNA (0.44) SMN1; SMN2LMNAMAPTKDM4E
SCHEMBL19253522 0.76 EGLN1 (0.45) L3MBTL1P2RY14KDM4EALDH1A1
SCHEMBL21872450 0.73 RAB9A (0.40) GRNSORT1L3MBTL1SMN1; SMN2LMNA
SCHEMBL22449668 0.73 LMNA (0.40) GRNSORT1SMN1; SMN2LMNAMAPT
SCHEMBL28130273 0.71 MEN1 (0.49) L3MBTL1LMNAMAPTHPGDKDM4E
SCHEMBL19300031 0.70 GRN (0.35) GRNSORT1LMNAMAPTALDH1A1
SCHEMBL3646146 0.70 MARS1 (0.46) GRNSORT1L3MBTL1P2RY14MAPT
SCHEMBL22549420 0.69 LMNA (0.38) GRNSORT1L3MBTL1SMN1; SMN2LMNA
SCHEMBL248730 0.69

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-110267960-B Substituted pyrazolo [1,5-a ] pyrazine compounds as RET kinase inhibitors 阿雷生物药品公司 2022-04-26 CN disclosed