SCHEMBL2355868

SCHEMBL2355868

CN1CCC(Nc2ccc3ncc(-c4ccnc(N)c4)n3n2)CC1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.57
FYN P06241 6/20 0.57
PIM1 P11309 12/20 0.53
KCNH2 Q12809 2/20 0.52

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
SCHEMBL12350665 0.88 MKNK1 (0.57) MKNK1FYNPIM1KCNH2
SCHEMBL12699592 0.86 FYN (0.76) MKNK1FYNPIM1KCNH2
SCHEMBL3037848 0.86 MKNK1 (0.77) MKNK1FYNPIM1KCNH2
SCHEMBL12350660 0.86 FYN (0.61) MKNK1FYNPIM1KCNH2
SCHEMBL12351155 0.85 FYN (0.76) FYNPIM1KCNH2
SCHEMBL12350824 0.85 MKNK1 (0.54) MKNK1FYNPIM1KCNH2
SCHEMBL12699558 0.83 FYN (0.57) MKNK1FYNPIM1KCNH2
SCHEMBL12351138 0.82 MKNK1 (0.59) MKNK1FYNPIM1KCNH2
SCHEMBL12614356 0.80 MKNK1 (0.55) MKNK1FYNPIM1KCNH2
SCHEMBL12351135 0.80 MKNK1 (0.48) MKNK1FYNPIM1KCNH2

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
WO-2011101640-A1 FUSED HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF MALARIA MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2011-08-25 WO disclosed
WO-2011101640-A1 FUSED HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF MALARIA MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2011-08-25 WO disclosed