SCHEMBL9870675

SCHEMBL9870675

CCC(O)c1c(-c2ccccc2)ccnc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.43
LMNA P02545 2/20 0.42
CHEK1 O14757 1/20 0.38
TACR1 P25103 2/20 0.37
GPR119 Q8TDV5 1/20 0.36
GRM4 Q14833 1/20 0.35
IKBKB O14920 1/20 0.34
CHUK O15111 1/20 0.34
DAPK3 O43293 1/20 0.34
JAK2 O60674 1/20 0.34
PRKD3 O94806 1/20 0.34
MAP4K4 O95819 1/20 0.34
PAK4 O96013 1/20 0.34
CSF1R P07333 1/20 0.34
RET P07949 1/20 0.34
IGF1R P08069 1/20 0.34
FGFR1 P11362 1/20 0.34
PRKACA P17612 1/20 0.34
FLT1 P17948 1/20 0.34
LTK P29376 1/20 0.34

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
SCHEMBL7459372 0.78 CHEK1 (0.45) CHEK1TACR1GRM4IKBKBCHUK
SCHEMBL5907405 0.72 LMNA (0.46) RECQLLMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL6516685 0.72 CHEK1 (0.46) CHEK1GRM4IKBKBCHUKDAPK3
SCHEMBL9870508 0.71 CHEK1 (0.42) CHEK1TACR1GRM4IKBKBCHUK
SCHEMBL27426169 0.71 LMNA (0.44) RECQLLMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL29519787 0.71 LMNA (0.44) RECQLLMNAMAPTRAB9AHPGD
Bromide SCHEMBL28797051 0.71 CHEK1 (0.45) CHEK1GRM4IKBKBCHUKDAPK3
SCHEMBL10511752 0.71 TACR1 (0.39) LMNATACR1GPR119MAPTNPC1
SCHEMBL10199428 0.70 GRM4 (0.58) CHEK1TACR1GRM4IKBKBCHUK
SCHEMBL9870737 0.68 CHEK1 (0.40) CHEK1TACR1GRM4IKBKBCHUK

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4997837-A Enzyme inhibitors WARNER-LAMBERT COMPANY (US) 1991-03-05 US disclosed
US-4906624-A 6-(((Substituted)pyridin-3-yl)alkyl)-and alkenyl)-tetrahydro-4-hydroxypyran-2-one inhibitors of cholesterol biosynthesis WARNER-LAMBERT COMPANY (US) 1990-03-06 US disclosed
EP-0306929-A2 6-[[(Substituted)pyridin-3-YL]alkyl]-and alkenyl]-tetrahydro-4-hydroxypyran-2-one inhibitors of cholesterol biosynthesis WARNER-LAMBERT COMPANY (US) 1989-03-15 EP disclosed