SCHEMBL19791644

SCHEMBL19791644

CC1CC(F)=C(c2cc(-c3cc(-c4cnn(C5CCNCC5)c4)cnc3N)c3cccnc3n2)C=C1N

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MET P08581 12/20 0.49
KCNH2 Q12809 2/20 0.49
GRK5 P34947 14/20 0.47
GRK2 P25098 11/20 0.47
FLT3 P36888 4/20 0.47
NTRK1 P04629 1/20 0.45

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 0.82 MET (0.56) METKCNH2GRK5GRK2FLT3
SCHEMBL12440246 0.81 MET (0.56) METKCNH2GRK5GRK2FLT3
SCHEMBL19791642 0.81 MET (0.51) METKCNH2GRK5GRK2FLT3
Hydrochloric Acid SCHEMBL2328784 0.81 MET (0.55) METKCNH2GRK5GRK2FLT3
SCHEMBL3476130 0.72 MAP4K3 (0.65) METKCNH2GRK5GRK2FLT3
SCHEMBL2324841 0.71 MAP4K3 (0.47) METNTRK1
SCHEMBL2385882 0.71 MET (0.77) METKCNH2GRK5GRK2FLT3
SCHEMBL2320474 0.71 MAP4K1 (0.53) METKCNH2GRK5GRK2FLT3
Hydrochloric Acid SCHEMBL13834975 0.70 MAP4K1 (0.52) METKCNH2GRK5GRK2FLT3
SCHEMBL2321067 0.70 INPPL1 (0.50) MET

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