SCHEMBL19267218

SCHEMBL19267218

Cc1ccc2nnn(Cc3cccc(-c4ncc(OCCN5CCOCC5)cn4)c3)c2c1F

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 9/20 0.52
▸ MAPK14 Q16539 1/20 0.40
▸ CNR1 P21554 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ AKT1 P31749 1/20 0.39
▸ SRC P12931 4/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ ACHE P22303 1/20 0.38

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
SCHEMBL12547398 0.93 MET (0.54) METMAPK14CNR1CNR2AKT1
SCHEMBL19267191 0.90 MET (0.52) METMAPK14CNR1CNR2AKT1
SCHEMBL12547877 0.90 MET (0.52) METMAPK14CNR1CNR2SRC
SCHEMBL12547779 0.88 MET (0.54) METMAPK14CNR1CNR2SRC
SCHEMBL13492824 0.84 MET (0.54) METAKT1SRCNPC1RAB9A
SCHEMBL12547692 0.84 MET (0.53) METSRCNPC1RAB9AACHE
SCHEMBL1951169 0.82 MET (0.57) METSRCNPC1RAB9A
SCHEMBL19267219 0.82 MET (0.43) METMAPK14CNR1CNR2
SCHEMBL1579474 0.81 MET (0.54) METSRCNPC1RAB9AACHE
SCHEMBL1581624 0.81 MET (0.54) METCNR1CNR2SRCNPC1

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-2310013-B1 BICYCLIC TRIAZOLE DERIVATIVES FOR TREATING TUMORS MERCK PATENT GMBH (DE) 2017-08-23 — — EP disclosed
Send feedback