SCHEMBL1646808

SCHEMBL1646808

NC(=O)Nc1ccccc1N1CCNCC1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 17/20 0.55
ADRB1 P08588 1/20 0.50

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
SCHEMBL1646812 0.86 NPSR1 (0.51) CHEK1
SCHEMBL7537046 0.86 CHEK1 (0.54) CHEK1ADRB1
SCHEMBL1439619 0.85 GAA (0.63)
SCHEMBL5563711 0.83 SMN1; SMN2 (0.72) CHEK1
SCHEMBL14356002 0.82 CHEK1 (0.54) CHEK1ADRB1
SCHEMBL7833448 0.82 CHEK1 (0.50) CHEK1
SCHEMBL5558994 0.82 POLB (0.66) CHEK1
SCHEMBL14356004 0.80 KCNQ2 (0.55) CHEK1
SCHEMBL6991512 0.80 CHEK1 (0.49) CHEK1ADRB1
SCHEMBL14356046 0.79 GAA (0.78) CHEK1

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-4665239-B2 2011-04-06 JP claimed
CN-1297442-A 5-aminoindeno [1,2-c] pyrazol-4-ones as anti-cancer and anti-proliferative agents DU PONT PHARM CO (US) 2001-05-30 CN claimed
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
CN-1297442-A 5-aminoindeno [1,2-c] pyrazol-4-ones as anti-cancer and anti-proliferative agents DU PONT PHARM CO (US) 2001-05-30 CN disclosed