SCHEMBL27598043

SCHEMBL27598043

Brc1ccccc1N1CN(c2ccc(-c3ccccc3)cc2)CC(c2ccccn2)=N1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.34
MAPT P10636 2/20 0.34
ALDH1A1 P00352 2/20 0.34
TP53 P04637 2/20 0.34
PKM P14618 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
KLF5 Q13887 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 3/20 0.33
PPP1CA P62136 1/20 0.33
HIF1A Q16665 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SCN9A Q15858 1/20 0.32
METAP1 P53582 5/20 0.32
HTR7 P34969 2/20 0.32
HTR1A P08908 1/20 0.32

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
SCHEMBL27598018 0.93 TDP1 (0.38) RAB9AMAPTALDH1A1KDM4ELMNA
SCHEMBL27844383 0.89 FLT3 (0.41) RAB9AALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL27844379 0.86 HTR7 (0.31) RAB9ATP53TSHRHTR7NPC1
SCHEMBL27861698 0.83 KMT2A (0.41) RAB9AMAPTALDH1A1TP53SMN1; SMN2
SCHEMBL27598088 0.83 CYP2A6 (0.36) RAB9ATP53PKMSMN1; SMN2TSHR
SCHEMBL27598025 0.82 HTR7 (0.30) HTR7
SCHEMBL27580438 0.81 MAPT (0.43) RAB9AMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL27581431 0.81 KCNH2 (0.38) RAB9AMAPTALDH1A1HPGDHTR7
SCHEMBL27598024 0.80 GRM5 (0.36) PKMHTR7GRM5
SCHEMBL27861647 0.76 MAPK1 (0.38) RAB9AMAPTALDH1A1KDM4EHPGD

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
CN-1458924-A Pyridazinone and triazinone compounds and their use as pharmaceutical formulations EISAI CO LTD (JP) 2003-11-26 CN claimed
CN-101486683-B Pyridazinone and triazinone compounds and their use as pharmaceutical formulations Sanitary Material R&D Management Co.,Ltd. (JP) 2011-12-21 CN disclosed
CN-101486683-A Pyridazinone and triazinone compounds and their use as pharmaceutical formulations EISAI R&D MAN CO LTD (JP) 2009-07-22 CN disclosed
CN-1458924-A Pyridazinone and triazinone compounds and their use as pharmaceutical formulations EISAI CO LTD (JP) 2003-11-26 CN disclosed