SCHEMBL28790973

SCHEMBL28790973

COc1cccc2nc(-c3cc(-c4cnn(C5CCNCC5)c4)cnc3N)oc12

nearest known ligand 0.74

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MET P08581 12/20 0.74
KCNH2 Q12809 2/20 0.74
GRK5 P34947 13/20 0.70
GRK2 P25098 7/20 0.70
FLT3 P36888 3/20 0.70

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
SCHEMBL2386826 0.90 MET (0.71) METKCNH2GRK5GRK2FLT3
SCHEMBL2386137 0.86 GRK5 (0.73) METKCNH2GRK5GRK2FLT3
SCHEMBL2384060 0.85 MET (1.00) METKCNH2GRK5GRK2FLT3
SCHEMBL29351419 0.85 MET (1.00) METKCNH2GRK5GRK2FLT3
Hydrochloric Acid SCHEMBL2748533 0.84 MET (1.00) METKCNH2GRK5GRK2FLT3
SCHEMBL2386041 0.83 MET (0.70) METKCNH2GRK5GRK2FLT3
SCHEMBL2749562 0.82 MAP4K3 (0.59) METKCNH2GRK5GRK2FLT3
SCHEMBL23083217 0.82 GRK5 (1.00) METKCNH2GRK5GRK2FLT3
SCHEMBL23083286 0.82 GRK5 (1.00) METKCNH2GRK5GRK2FLT3
SCHEMBL13577796 0.82 GRK5 (0.85) METKCNH2GRK5GRK2FLT3

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-101910158-A Pyridine and pyrazine derivatives useful in the treatment of cell proliferative disorders ASTRAZENECA AB 2010-12-08 CN disclosed