SCHEMBL29979050

SCHEMBL29979050

N#Cc1cnc(N)cc1NCCOCC1CC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 7/20 0.41
FGFR4 P22455 5/20 0.37
ENPP1 P22413 1/20 0.34
PRKCD Q05655 3/20 0.34
IKBKE Q14164 2/20 0.32
TBK1 Q9UHD2 2/20 0.32
CHEK1 O14757 1/20 0.32
XDH P47989 1/20 0.32
CHUK O15111 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL19629910 1.00 PRKCQ (0.41) PRKCQFGFR4ENPP1PRKCDIKBKE
SCHEMBL29979865 0.85 PRKCQ (0.38) PRKCQFGFR4PRKCDCHEK1
SCHEMBL19630148 0.85 PRKCQ (0.38) PRKCQFGFR4PRKCDCHEK1
SCHEMBL19630108 0.82 FGFR4 (0.38) PRKCQFGFR4PRKCDCHEK1KDM4E
SCHEMBL22023323 0.81 PRKCQ (0.56) PRKCQPRKCDCHEK1CHUK
SCHEMBL23300674 0.81 ENPP1 (0.41) FGFR4ENPP1
SCHEMBL16668807 0.80 NCF1 (0.46) FGFR4
SCHEMBL16668835 0.78 FGFR4 (0.36) PRKCQFGFR4ENPP1PRKCD
SCHEMBL16668108 0.77 FGFR4 (0.38) PRKCQFGFR4ENPP1PRKCD
SCHEMBL16667970 0.76 FGFR4 (0.37) PRKCQFGFR4CHEK1

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
CN-113234072-B FGFR4 inhibitor, preparation method and application thereof 江苏豪森药业集团有限公司 2022-11-04 CN disclosed
CN-113105454-B FGFR4 inhibitor, preparation method and application thereof 江苏豪森药业集团有限公司 2022-10-11 CN disclosed