SCHEMBL7283436

SCHEMBL7283436

O=C1NCCc2[nH]c3c(F)cccc3c21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 3/20 0.52
MAPKAPK2 P49137 7/20 0.45
MAPK9 P45984 5/20 0.45
DYRK1A Q13627 2/20 0.41
PIM1 P11309 2/20 0.41
PIM2 Q9P1W9 1/20 0.41
FEN1 P39748 1/20 0.41
BUB1 O43683 3/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
GSK3A P49840 2/20 0.38
PLK4 O00444 1/20 0.38
MAPK13 O15264 1/20 0.38
DAPK3 O43293 1/20 0.38
DYRK3 O43781 1/20 0.38

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
SCHEMBL7294516 0.82 CDC7 (0.52) CDC7MAPKAPK2MAPK9DYRK1APIM1
SCHEMBL7286094 0.82 CDC7 (0.52) CDC7MAPKAPK2MAPK9DYRK1APIM1
SCHEMBL7294857 0.78 MAPKAPK2 (0.50) CDC7MAPKAPK2MAPK9DYRK1AKDM4E
SCHEMBL7283655 0.78 PARP1 (0.46) CDC7MAPKAPK2MAPK9DYRK1APIM1
SCHEMBL5830904 0.77 DYRK1A (0.68) DYRK1AFEN1BUB1KDM4EMEN1
SCHEMBL28370434 0.76 KDM4E (0.60) FEN1KDM4EMEN1CYP1A2HPGD
SCHEMBL1286 0.74 KDM4E (0.58) CDC7BUB1KDM4EMEN1CYP1A2
SCHEMBL1658817 0.74 CDC7 (0.45) CDC7MAPKAPK2MAPK9PIM1KDM4E
SCHEMBL10154880 0.74 NISCH (0.47) CDC7MAPKAPK2MAPK9DYRK1AKDM4E
SCHEMBL7284065 0.72 PIK3CG (0.47) CDC7MAPKAPK2MAPK9PIM1PIM2

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