SCHEMBL680364

SCHEMBL680364

C[C@@H]1CN(c2cc3nn(C4CCCCO4)cc3cc2Oc2ccc(N)cc2F)C[C@H](C)O1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
ALOX12 P18054 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
AXL P30530 1/20 0.31

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
SCHEMBL679311 0.92 ATR (0.37) AXL
SCHEMBL679312 0.92 ATR (0.37) AXL
SCHEMBL680593 0.87 AXL (0.37) KDM4ENPC1RAB9AAXL
SCHEMBL680000 0.87 ALDH1A1 (0.41) KDM4EHTTRAB9A
SCHEMBL680569 0.84 LATS1 (0.33) AXL
SCHEMBL680525 0.83 SCN9A (0.32) NPC1RAB9AAXL
SCHEMBL680888 0.79 ATR (0.36) RAB9AKMT2A
SCHEMBL679716 0.79 ATR (0.36) RAB9AKMT2A
SCHEMBL679194 0.72 RAB9A (0.32) RAB9A
SCHEMBL1547818 0.71 ATM (0.32)

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-2310382-B1 AMIDOPHENOXYINDAZOLES USEFUL AS INHIBITORS OF C-MET LILLY CO ELI (US) 2012-02-22 EP disclosed