SCHEMBL29050286

SCHEMBL29050286

O=C(O)c1nc2c(s1)CN(C1COC1)CC2

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 10/20 0.39
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
CHKA P35790 2/20 0.33
CHKB Q9Y259 2/20 0.33
ATR Q13535 3/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
F10 P00742 2/20 0.32
PDE1B Q01064 1/20 0.32
KCNH2 Q12809 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
SCHEMBL24538478 0.82 PDCD1 (0.36) GRM5PDCD1CD274ATRNPC1
SCHEMBL14930362 0.77 PDE10A (0.44) GRM5PDCD1CD274ATRPDE1B
SCHEMBL30916111 0.77 GRM5 (0.40) GRM5PDCD1CD274PDE1BKCNH2
SCHEMBL11888242 0.75 PDCD1 (0.47) GRM5PDCD1CD274CHKACHKB
SCHEMBL21452254 0.75 PDCD1 (0.42) GRM5PDCD1CD274
SCHEMBL21452258 0.74 PDCD1 (0.52) PDCD1CD274ATRF10
SCHEMBL23109923 0.74 RAD52 (0.40) GRM5PDCD1CD274NPC1RAB9A
SCHEMBL14925519 0.74 GRM5 (0.40) GRM5PDCD1CD274ATRPDE1B
SCHEMBL28895700 0.74 GRM5 (0.44) GRM5NPC1RAB9A
SCHEMBL1251008 0.74 F10 (0.50) GRM5F10

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-116568303-A Dihydrofuranopyridine derivatives as RHO-kinase inhibitors 奇斯药制品公司 2023-08-08 CN disclosed