SCHEMBL2466045

SCHEMBL2466045

CN(C)CCCN(C(=O)O)c1cccc(Cn2nc(-c3ccc(C#N)cc3)ccc2=O)c1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 11/20 0.53
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ MAPT P10636 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HDAC1 Q13547 1/20 0.40
▸ PDE4A P27815 1/20 0.40
▸ PDE4B Q07343 1/20 0.40
▸ PDE4C Q08493 1/20 0.40
▸ PDE4D Q08499 1/20 0.40

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
SCHEMBL2472166 0.92 MET (0.63) METHDAC1
SCHEMBL3103580 0.88 MEN1 (0.48) METMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL2467459 0.85 MET (0.53) METMEN1KMT2AHDAC1PDE4A
SCHEMBL2464380 0.85 MET (0.63) MET
SCHEMBL2672462 0.85 MET (0.63) METMEN1KMT2AHDAC1
SCHEMBL2468886 0.85 MET (0.50) METMEN1KMT2AMAPTPDE4A
SCHEMBL2468137 0.84 MET (0.53) MET
SCHEMBL2467270 0.83 MET (0.53) METMEN1KMT2APDE4APDE4B
SCHEMBL2468334 0.83 MET (0.63) MET
SCHEMBL2152667 0.82 MET (0.57) METMEN1KMT2AMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173653-B2 Pyridiazinone derivatives for the treatment of tumours MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2012-05-08 — — US claimed
EP-1960370-B1 PYRIDIAZINONE DERIVATIVES FOR TUMOUR TREATMENT MERCK PATENT GMBH (DE) 2011-10-05 — — EP claimed
Send feedback