SCHEMBL19791642

SCHEMBL19791642

Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1cc(-c2cc(O)ccc2F)nc2ncccc12

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MET P08581 13/20 0.51
FLT3 P36888 4/20 0.51
AURKA O14965 1/20 0.51
MST1R Q04912 1/20 0.51
GRK5 P34947 6/20 0.51
GRK2 P25098 5/20 0.51
KCNH2 Q12809 2/20 0.49
MAP4K3 Q8IVH8 3/20 0.48
ALK Q9UM73 1/20 0.48

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
SCHEMBL12441181 0.92 MET (0.56) METFLT3GRK5GRK2KCNH2
SCHEMBL12440246 0.92 MET (0.56) METFLT3MST1RGRK5GRK2
Hydrochloric Acid SCHEMBL2328784 0.91 MET (0.55) METFLT3MST1RGRK5GRK2
SCHEMBL2324841 0.82 MAP4K3 (0.47) METMAP4K3ALK
SCHEMBL19791644 0.81 MET (0.49) METFLT3GRK5GRK2KCNH2
SCHEMBL2321067 0.80 INPPL1 (0.50) METMAP4K3ALK
Hydrochloric Acid SCHEMBL2324061 0.79 INPPL1 (0.49) METMAP4K3ALK
SCHEMBL2320474 0.78 MAP4K1 (0.53) METFLT3GRK5GRK2KCNH2
SCHEMBL2324969 0.78 MET (0.44) METGRK5GRK2MAP4K3ALK
Hydrochloric Acid SCHEMBL13834975 0.78 MAP4K1 (0.52) METFLT3GRK5GRK2KCNH2

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
EP-2531500-B1 HETARYL-[1,8]NAPHTHYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2018-01-24 EP disclosed