SCHEMBL6166087

SCHEMBL6166087

[c]1cccnc1Cc1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
HRH3 Q9Y5N1 2/20 0.43
HRH1 P35367 1/20 0.42
HRH4 Q9H3N8 1/20 0.42
LMNA P02545 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LIN28A Q9H9Z2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
KDM4E B2RXH2 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
SCHEMBL489367 0.78 CALM1 (0.42) L3MBTL1LMNATAAR1ALDH1A1SMN1; SMN2
SCHEMBL668548 0.77 L3MBTL1 (0.44) L3MBTL1HRH3HRH1HRH4LMNA
SCHEMBL41191 0.76 L3MBTL1 (0.59) L3MBTL1HRH3HRH1HRH4LMNA
SCHEMBL29830938 0.76 L3MBTL1 (0.59) L3MBTL1HRH3HRH1HRH4LMNA
Bromide SCHEMBL6114859 0.74 L3MBTL1 (0.57) L3MBTL1HRH3HRH1HRH4LMNA
SCHEMBL29715188 0.74 L3MBTL1 (0.57) L3MBTL1HRH3HRH1HRH4LMNA
Hydrochloric Acid SCHEMBL10884973 0.74 L3MBTL1 (0.57) L3MBTL1HRH3HRH1HRH4LMNA
Ammonia Solution, Strong SCHEMBL6176560 0.74 L3MBTL1 (0.57) L3MBTL1HRH3HRH1HRH4LMNA
SCHEMBL4938201 0.74 L3MBTL1 (0.57) L3MBTL1HRH3HRH1HRH4LMNA
SCHEMBL4938207 0.74 L3MBTL1 (0.57) L3MBTL1HRH3HRH1HRH4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1417177-A4 ACYLSEMICARBAZIDES AS CYCLIN DEPENDENT KINASE INHIBITORS USEFUL AS ANTI-CANCER AND ANTI-PROLIFERATIVE AGENTS BRISTOL MYERS SQUIBB PHARMA CO (US) 2005-10-19 EP disclosed
CN-1553900-A Acylsemicarbazides as cyclin dependent kinase inhibitors useful as anti-cancer and anti-proliferative agents ��ʱ��ʩ����ҩ��˾ 2004-12-08 CN disclosed
EP-1417177-A2 ACYLSEMICARBAZIDES AS CYCLIN DEPENDENT KINASE INHIBITORS USEFUL AS ANTI-CANCER AND ANTI-PROLIFERATIVE AGENTS Bristol-Myers Squibb Pharma Company (US) 2004-05-12 EP disclosed
WO-2003007883-A2 ACYLSEMICARBAZIDES AS CYCLIN DEPENDENT KINASE INHIBITORS USEFUL AS ANTI-CANCER AND ANTI-PROLIFERATIVE AGENTS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2003-01-30 WO disclosed
EP-1071668-A1 5-AMINOINDENO(1,2-C)PYRAZOL-4-ONES AS ANTI-CANCER AND ANTI-PROLIFERATIVE AGENTS Du Pont Pharmaceuticals Company (US) 2001-01-31 EP disclosed
WO-1999054308-A1 5-AMINOINDENO(1,2-C)PYRAZOL-4-ONES AS ANTI-CANCER AND ANTI-PROLIFERATIVE AGENTS DU PONT PHARMACEUTICALS COMPANY (US) 1999-10-28 WO disclosed
CN-1028757-C Heterocyclic derivatives, process for their preparation and their use as medicaments SANOFI SA (FR) 1995-06-07 CN disclosed