SCHEMBL17849252

SCHEMBL17849252

COc1cc(-c2cnc3ccc(N[C@H]4CC[C@H](O)CC4)nn23)cc(C)c1OC

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FYN P06241 9/20 0.71
PIM1 P11309 9/20 0.58
KCNH2 Q12809 3/20 0.58
MKNK1 Q9BUB5 2/20 0.51

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
SCHEMBL18015043 1.00 FYN (0.71) FYNPIM1KCNH2MKNK1
SCHEMBL3040961 0.94 FYN (0.80) FYNPIM1KCNH2MKNK1
SCHEMBL3040966 0.94 FYN (0.80) FYNPIM1KCNH2MKNK1
SCHEMBL3042041 0.86 FYN (0.80) FYNPIM1KCNH2
SCHEMBL3042044 0.86 FYN (0.80) FYNPIM1KCNH2
SCHEMBL2943496 0.84 FYN (0.80) FYNPIM1KCNH2
SCHEMBL3041877 0.84 FYN (0.80) FYNPIM1KCNH2
SCHEMBL3041628 0.84 PIM1 (0.66) FYNPIM1KCNH2MKNK1
SCHEMBL3041625 0.84 PIM1 (0.66) FYNPIM1KCNH2MKNK1
SCHEMBL1055103 0.83 FYN (1.00) FYNPIM1MKNK1

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
US-9370515-B2 Mixed lineage kinase inhibitors and method of treatments Califia Bio, Inc. (US) 2016-06-21 US disclosed