SCHEMBL17849277

SCHEMBL17849277

COc1cncc2cc(-c3cnc4ccc(N[C@H]5CC[C@H](C)CC5)nn34)sc12

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FYN P06241 5/20 0.52
PIM1 P11309 13/20 0.47
MKNK1 Q9BUB5 3/20 0.46
KCNH2 Q12809 3/20 0.44

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
SCHEMBL18015050 1.00 FYN (0.52) FYNPIM1MKNK1KCNH2
SCHEMBL16010400 0.93 PIM1 (0.52) FYNPIM1MKNK1KCNH2
SCHEMBL16010404 0.93 PIM1 (0.52) FYNPIM1MKNK1KCNH2
SCHEMBL17849276 0.93 PIM1 (0.52) FYNPIM1MKNK1KCNH2
SCHEMBL16023613 0.92 PIM1 (0.57) FYNPIM1MKNK1KCNH2
SCHEMBL17849324 0.90 FYN (0.53) FYNPIM1MKNK1KCNH2
SCHEMBL16017059 0.90 FYN (0.53) FYNPIM1MKNK1KCNH2
SCHEMBL17849281 0.88 MKNK1 (0.48) FYNPIM1MKNK1KCNH2
SCHEMBL17849311 0.88 MKNK1 (0.48) FYNPIM1MKNK1KCNH2
SCHEMBL16017088 0.83 FYN (0.51) FYNPIM1MKNK1KCNH2

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