SCHEMBL29907113

SCHEMBL29907113

COc1ccc(Cn2nc(-c3cnn(C4CCNCC4)c3)c3nc(-c4cccc(C)c4C)c(OC)cc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP4K3 Q8IVH8 3/20 0.45
ALK Q9UM73 2/20 0.40
KCNH2 Q12809 1/20 0.40
FGFR1 P11362 8/20 0.40
FGFR2 P21802 8/20 0.40
FGFR3 P22607 8/20 0.40
MET P08581 1/20 0.39
GRK5 P34947 2/20 0.38
FGFR4 P22455 2/20 0.38
KDR P35968 2/20 0.38
GRK2 P25098 1/20 0.38
NTRK1 P04629 2/20 0.37
CSF1R P07333 2/20 0.37
NTRK2 Q16620 2/20 0.37
CYP2D6 P10635 1/20 0.37
HRH1 P35367 1/20 0.37
TTK P33981 1/20 0.37
FLT3 P36888 1/20 0.37

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
SCHEMBL23211009 1.00 MAP4K3 (0.45) MAP4K3ALKKCNH2FGFR1FGFR2
SCHEMBL23210853 0.93 FGFR1 (0.37) MAP4K3ALKKCNH2FGFR1FGFR2
SCHEMBL29907024 0.93 FGFR1 (0.37) MAP4K3ALKKCNH2FGFR1FGFR2
SCHEMBL29907014 0.89 MAP4K3 (0.43) MAP4K3ALKKCNH2FGFR1FGFR2
SCHEMBL23210923 0.89 MAP4K3 (0.43) MAP4K3ALKKCNH2FGFR1FGFR2
SCHEMBL23211097 0.89 CYP2D6 (0.39) MAP4K3FGFR1FGFR2FGFR3MET
SCHEMBL23211090 0.89 CYP2D6 (0.35) MAP4K3METCYP2D6HRH1TTK
SCHEMBL29907190 0.87 MET (0.43) FGFR1FGFR2FGFR3METFGFR4
SCHEMBL23211019 0.87 MET (0.43) FGFR1FGFR2FGFR3METFGFR4
SCHEMBL23264135 0.86 RET (0.39) FGFR1FGFR2FGFR3METFGFR4

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