SCHEMBL4768889

SCHEMBL4768889

NC(=O)c1ccccc1-c1ccnc2n[nH]cc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.58
CSNK1A1 P48729 1/20 0.47
TYRO3 Q06418 1/20 0.47
DYRK1B Q9Y463 1/20 0.47
BCAT2 O15382 1/20 0.41
CCNE2 O96020 5/20 0.40
CCNE1 P24864 5/20 0.40
CDK2 P24941 5/20 0.40
CCNB2 O95067 4/20 0.40
CDK1 P06493 4/20 0.40
CCNB1 P14635 4/20 0.40
CCNB3 Q8WWL7 4/20 0.40
FYN P06241 2/20 0.38
GRM5 P41594 1/20 0.38
SLC40A1 Q9NP59 1/20 0.37
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
CCND2 P30279 1/20 0.37
CCND3 P30281 1/20 0.37
KDM4E B2RXH2 2/20 0.36

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
SCHEMBL4762978 0.84 BCAT2 (0.44) NUDT1CSNK1A1TYRO3DYRK1BBCAT2
SCHEMBL1694890 0.81 KDM4E (0.45) NUDT1CSNK1A1TYRO3DYRK1BCCNE2
SCHEMBL27872261 0.80 NUDT1 (0.59) NUDT1CSNK1A1TYRO3DYRK1BBCAT2
SCHEMBL4770923 0.78 CDC7 (0.38) NUDT1CSNK1A1TYRO3DYRK1BCCNE2
SCHEMBL4768901 0.75 NUDT1 (0.65) NUDT1CSNK1A1TYRO3DYRK1BBCAT2
SCHEMBL27991327 0.75 NUDT1 (0.61) NUDT1CSNK1A1TYRO3DYRK1BBCAT2
SCHEMBL4772891 0.73 NUDT1 (1.00) NUDT1CSNK1A1TYRO3DYRK1B
SCHEMBL7443909 0.72 FYN (0.48) CCNB2CDK1CCNB1CCNB3FYN
SCHEMBL27636994 0.72 BCAT2 (0.47) NUDT1CSNK1A1TYRO3DYRK1BBCAT2
SCHEMBL28757944 0.71 KDM4E (0.47) NUDT1CSNK1A1TYRO3DYRK1BBCAT2

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-1934181-A2 KINASE INHIBITORS Devgen NV (BE) 2008-06-25 EP claimed
WO-2007042321-A2 KINASE INHIBITORS DEVGEN N.V. (BE) 2007-04-19 WO claimed