SCHEMBL175419

SCHEMBL175419

O=C(Nc1ccc(C(F)(F)F)cc1)Nc1cccc2c1CCN2

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ HTT P42858 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ EPHX2 P34913 1/20 0.54
▸ TRPV1 Q8NER1 2/20 0.52
▸ STING1 Q86WV6 1/20 0.52
▸ KDR P35968 3/20 0.51
▸ BAZ1A Q9NRL2 1/20 0.49
▸ MTOR P42345 1/20 0.49
▸ ABCG2 Q9UNQ0 1/20 0.47
▸ P2RY1 P47900 1/20 0.44
▸ KIT P10721 1/20 0.44
▸ FLT3 P36888 1/20 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
SCHEMBL175205 0.88 KDR (0.58) MAPTMEN1HTTRAB9AKMT2A
SCHEMBL4569778 0.84 MEN1 (0.53) MAPTMEN1HTTRAB9AKMT2A
SCHEMBL174936 0.84 MEN1 (0.51) MAPTMEN1HTTRAB9AKMT2A
SCHEMBL174930 0.84 RAB9A (0.52) MAPTMEN1RAB9AKMT2ASTING1
SCHEMBL173797 0.82 MEN1 (0.54) MEN1RAB9AKMT2ATRPV1
SCHEMBL175067 0.81 MAPT (0.52) MAPTMEN1HTTRAB9AKMT2A
SCHEMBL175262 0.81 SMN1; SMN2 (0.55) MAPTMEN1RAB9AKMT2AABCG2
SCHEMBL6670740 0.78 NTRK1 (0.47) HTTKMT2AKDR
SCHEMBL174986 0.77 KMT2A (0.52) MAPTMEN1RAB9AKMT2ATRPV1
SCHEMBL173846 0.77 STING1 (0.53) MAPTMEN1HTTRAB9AKMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611806-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS Ascepion Pharmaceuticals, Inc. (CN) 2013-07-10 — — EP claimed
WO-2012028106-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ASCEPION PHARMACEUTICALS, INC. (CN) 2012-03-08 — — WO claimed
EP-2611806-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS Ascepion Pharmaceuticals, Inc. (CN) 2013-07-10 — — EP disclosed
WO-2012028106-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ASCEPION PHARMACEUTICALS, INC. (CN) 2012-03-08 — — WO disclosed
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