SCHEMBL30288191

SCHEMBL30288191

O=c1ncc2cc(F)cnc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.38
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
DAO P14920 2/20 0.33
DDO Q99489 1/20 0.32
GRIN1 Q05586 3/20 0.31
GRIN2B Q13224 3/20 0.31
AURKA O14965 1/20 0.31
DAPK3 O43293 1/20 0.31
JAK2 O60674 1/20 0.31
PRKD3 O94806 1/20 0.31
MAP4K4 O95819 1/20 0.31
PAK4 O96013 1/20 0.31
ABL1 P00519 1/20 0.31
NTRK1 P04629 1/20 0.31
FYN P06241 1/20 0.31
RET P07949 1/20 0.31
MET P08581 1/20 0.31
PDGFRB P09619 1/20 0.31
PIM1 P11309 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
SCHEMBL12648979 0.77 CCR1 (0.41)
SCHEMBL5659171 0.76 SNCA (0.40) SNCAPDE3BPDE3ADAOABL1
SCHEMBL29626963 0.73 HPGDS (0.36) GRIN1GRIN2BGSK3AGSK3BCDK5
SCHEMBL3360121 0.73 DAO (0.54) SNCADAODDO
SCHEMBL19126483 0.73 SNCA (0.39) SNCADAODDOAURKADAPK3
SCHEMBL6883082 0.72 DAO (0.50) PDE3BPDE3ADAODDOCDK5
SCHEMBL14977221 0.71 NAMPT (0.40) SNCAFGFR1KDR
SCHEMBL2038785 0.71 BRD4 (0.47) SNCADAOJAK2KDR
SCHEMBL29431210 0.71 SNCA (0.42) SNCA
SCHEMBL20004561 0.71 SNCA (0.42) SNCA

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
WO-2024085603-A1 COMPOSITION FOR PREVENTING OR TREATING C-MYC-ASSOCIATED DISEASES THROUGH INHIBITION OF EXPRESSION OF UBIQUITIN-SPECIFIC PROTEASE 47 (USP47), AND USE THEREOF 이화여자대학교 산학협력단 2024-04-25 WO disclosed
CN-116003405-A Inhibitors of KRAS G12C and methods of use thereof 美国安进公司 2023-04-25 CN disclosed