SCHEMBL7286094

SCHEMBL7286094

O=C1NCCc2[nH]c3c(Br)cccc3c21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 2/20 0.52
NISCH Q9Y2I1 1/20 0.49
PARP10 Q53GL7 1/20 0.46
PARP11 Q9NR21 1/20 0.46
KDM4E B2RXH2 2/20 0.44
HSD17B10 Q99714 1/20 0.44
CCNE2 O96020 2/20 0.42
CDK4 P11802 2/20 0.42
CCND1 P24385 2/20 0.42
CCNE1 P24864 2/20 0.42
CDK2 P24941 2/20 0.42
CAMK2B Q13554 2/20 0.42
CAMK2G Q13555 2/20 0.42
CAMK2D Q13557 2/20 0.42
CAMK2A Q9UQM7 2/20 0.42
DYRK1A Q13627 1/20 0.41
ENPP3 O14638 1/20 0.39
ENPP1 P22413 1/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 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
SCHEMBL10154880 0.91 NISCH (0.47) CDC7NISCHPARP10PARP11KDM4E
SCHEMBL7294516 0.82 CDC7 (0.52) CDC7PARP10PARP11KDM4EDYRK1A
SCHEMBL7283436 0.82 CDC7 (0.52) CDC7KDM4EDYRK1AMEN1CYP1A2
SCHEMBL7294857 0.78 MAPKAPK2 (0.50) CDC7KDM4ECDK4CCND1DYRK1A
SCHEMBL1286 0.74 KDM4E (0.58) CDC7NISCHKDM4ECDK4CCND1
SCHEMBL1658817 0.74 CDC7 (0.45) CDC7KDM4EHSD17B10CDK4CCND1
SCHEMBL7284065 0.72 PIK3CG (0.47) CDC7MAPK9MAPKAPK2PIM1PIM2
SCHEMBL4265286 0.72 CLEC4M (0.50) CDC7KDM4ECDK2DYRK1AKMT2A
SCHEMBL21612903 0.70 PARP10 (0.54) PARP10PARP11DYRK1ATUBB4ATUBB
SCHEMBL16943062 0.70 CDC7 (0.52) CDC7PARP10PARP11CDK2DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0353983-B1 Lactam derivatives GLAXO GROUP LTD (GB) 1996-05-29 EP disclosed
US-5183820-A Useful for treatment of nausea, vomiting, irritable bowel syndrome and dyspepsia GLAXO GROUP LIMITED (GB) 1993-02-02 US disclosed
EP-0353983-A2 Lactam derivatives GLAXO GROUP LIMITED (GB) 1990-02-07 EP disclosed