SCHEMBL2471206

SCHEMBL2471206

O=c1ccc(-c2ccc(F)c(F)c2)nn1Cc1cccc2cccnc12

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.51
▸ KMT2A Q03164 5/20 0.51
▸ TP53 P04637 2/20 0.43
▸ TOP1 P11387 1/20 0.41
▸ MET P08581 7/20 0.41
▸ DAO P14920 1/20 0.41
▸ SLC22A12 Q96S37 1/20 0.40
▸ GRIN1 Q05586 1/20 0.39
▸ GRIN2B Q13224 1/20 0.39

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
SCHEMBL2465374 0.88 MEN1 (0.54) MEN1KMT2ATP53METDAO
SCHEMBL2464399 0.87 MET (0.52) MEN1KMT2ATP53METDAO
SCHEMBL2469745 0.80 MET (0.60) MEN1KMT2AMET
SCHEMBL2464345 0.73 MEN1 (0.52) MEN1KMT2AMET
SCHEMBL15815830 0.72 SLC22A12 (0.43) MEN1KMT2ATP53METDAO
SCHEMBL3063362 0.69 MET (0.79) MEN1KMT2AMET
SCHEMBL23297363 0.69 MEN1 (0.80) MEN1KMT2ATP53
SCHEMBL20530338 0.69 MET (0.42) TOP1METSLC22A12
SCHEMBL23297225 0.69 MEN1 (0.84) MEN1KMT2ATP53
SCHEMBL20530291 0.68 PARP1 (0.38) METSLC22A12

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
EP-1960370-B1 PYRIDIAZINONE DERIVATIVES FOR TUMOUR TREATMENT MERCK PATENT GMBH (DE) 2011-10-05 — — EP claimed
EP-1960370-B1 PYRIDIAZINONE DERIVATIVES FOR TUMOUR TREATMENT MERCK PATENT GMBH (DE) 2011-10-05 — — EP disclosed
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