SCHEMBL9487590

SCHEMBL9487590

COc1cc(-c2ccc(F)cc2)nc(-c2ccccn2)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.61
FFAR1 O14842 6/20 0.57
SQOR Q9Y6N5 3/20 0.51
MAPK14 Q16539 1/20 0.50
L3MBTL1 Q9Y468 3/20 0.48
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.48
HTT P42858 1/20 0.48
PPP1CA P62136 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KDM4E B2RXH2 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
ABCB1 P08183 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.46
LMNA P02545 1/20 0.45
HSP90AA1 P07900 1/20 0.45
PKM P14618 1/20 0.45

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
SCHEMBL9846245 0.84 GAA (0.68) GAAFFAR1L3MBTL1ALDH1A1HTT
SCHEMBL9565619 0.79 KDM4E (0.51) GAAFFAR1SQORMAPK14L3MBTL1
SCHEMBL9487664 0.78 KDM4E (0.50) FFAR1MAPK14L3MBTL1SMN1; SMN2KDM4E
SCHEMBL9488463 0.78 KDM4E (0.50) FFAR1SQORMAPK14L3MBTL1MEN1
SCHEMBL18292395 0.77 ACP1 (0.55) FFAR1L3MBTL1KMT2ANPC1RAB9A
SCHEMBL29638126 0.75 TGFBR1 (0.57) SQORMAPK14L3MBTL1ALDH1A1MEN1
SCHEMBL1358217 0.75 TGFBR1 (0.57) SQORMAPK14L3MBTL1ALDH1A1MEN1
SCHEMBL19882071 0.73 KDM4E (0.65) MAPK14L3MBTL1ALDH1A1MEN1HTT
SCHEMBL6819027 0.73 ALDH1A1 (0.71) SQORL3MBTL1ALDH1A1KDM4ETDP1
SCHEMBL29728520 0.73 TGFBR1 (0.56) SQORMAPK14L3MBTL1ALDH1A1MEN1

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
JP-3251581-A None JP disclosed
US-5250533-A Fungicidal pyridinylpyrimidines BAYER AKTIENGESELLSCHAFT (DE) 1993-10-05 US disclosed
JP-H03251581-A PYRIDINYLPYRIMIDINE DERIVATIVE BAYER AG 1991-11-11 JP disclosed
EP-0431424-A2 Pyridinylpyrimidin derivatives BAYER AG (DE) 1991-06-12 EP disclosed