SCHEMBL29907014

SCHEMBL29907014

COc1ccc(Cn2nc(-c3cnn(C4CCNCC4)c3)c3nc(-c4cccc5c4CCC5)c(OC)cc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP4K3 Q8IVH8 4/20 0.43
MET P08581 1/20 0.39
ALK Q9UM73 2/20 0.39
KCNH2 Q12809 1/20 0.39
GRK5 P34947 3/20 0.38
GRK2 P25098 2/20 0.38
FGFR1 P11362 8/20 0.37
FGFR2 P21802 8/20 0.37
FGFR3 P22607 8/20 0.37
FGFR4 P22455 2/20 0.36
KDR P35968 2/20 0.36
NTRK1 P04629 1/20 0.36
CSF1R P07333 1/20 0.36
NTRK2 Q16620 1/20 0.36
TTK P33981 1/20 0.35
FLT3 P36888 1/20 0.35

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
SCHEMBL23210923 1.00 MAP4K3 (0.43) MAP4K3METALKKCNH2GRK5
SCHEMBL23210972 0.93 MAP4K3 (0.35) MAP4K3METFGFR1FGFR2FGFR3
SCHEMBL29907149 0.93 MAP4K3 (0.35) MAP4K3METFGFR1FGFR2FGFR3
SCHEMBL29907113 0.89 MAP4K3 (0.45) MAP4K3METALKKCNH2GRK5
SCHEMBL23211009 0.89 MAP4K3 (0.45) MAP4K3METALKKCNH2GRK5
SCHEMBL23210911 0.85 BUB1 (0.34) ALK
SCHEMBL29907158 0.85 BUB1 (0.34) ALK
SCHEMBL29907068 0.83 ROCK2 (0.37) GRK2
SCHEMBL23211088 0.83 ROCK2 (0.37) GRK2
SCHEMBL23236622 0.82 MAP4K3 (0.38) MAP4K3METALKGRK5NTRK1

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-115835908-A Bicyclic heterocycles as FGFR inhibitors 因赛特公司 2023-03-21 CN disclosed
EP-4045151-A1 BICYCLIC HETEROCYCLES AS FGFR INHIBITORS Incyte Corporation (US) 2022-08-24 EP disclosed