SCHEMBL7284472

SCHEMBL7284472

N#Cc1cc(-c2ccncc2)cnc1OCCCOC(=O)c1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.51
LMNA P02545 4/20 0.49
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
TDP1 Q9NUW8 2/20 0.41
CYP1A2 P05177 3/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2D6 P10635 1/20 0.41
AGTR1 P30556 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
TSHR P16473 1/20 0.40
KDM4E B2RXH2 1/20 0.39
USP2 O75604 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
SCHEMBL7294840 0.93 TDP1 (0.44) L3MBTL1LMNAKMT2AALDH1A1MAPT
SCHEMBL7294020 0.84 AAK1 (0.41) ALDH1A1MAPTHPGDCYP3A4KDM4E
SCHEMBL7292041 0.83 KDM4E (0.51) L3MBTL1LMNAKMT2AALDH1A1MAPT
SCHEMBL7284949 0.82 AAK1 (0.40) ALDH1A1MAPTHPGDCYP3A4CYP2D6
SCHEMBL7284759 0.78 AAK1 (0.42) L3MBTL1ALDH1A1TDP1CYP3A4CYP11B1
SCHEMBL7291149 0.78 AAK1 (0.43) L3MBTL1ALDH1A1TDP1CYP3A4CYP11B1
SCHEMBL7285326 0.78 AAK1 (0.41) KMT2AALDH1A1MAPTHPGDMEN1
SCHEMBL7282598 0.77 KDM4E (0.44) L3MBTL1LMNAKMT2AALDH1A1MAPT
SCHEMBL25009811 0.76 L3MBTL1 (0.82) L3MBTL1LMNAKMT2AALDH1A1MAPT
SCHEMBL7306378 0.75 AAK1 (0.45) L3MBTL1ALDH1A1HPGDTDP1CYP3A4

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-0200024-B1 3-CYANO-PYRIDINES, PROCESS FOR THEIR PREPARATION AND THEIR PHARMACEUTICAL USE ARZNEIMITTELWERK DRESDEN GmbH (DE) 1992-07-01 EP disclosed
EP-0200024-A2 3-Cyano-pyridines, process for their preparation and their pharmaceutical use ARZNEIMITTELWERK DRESDEN GmbH (DE) 1986-11-05 EP disclosed