SCHEMBL4554733

SCHEMBL4554733

CN1CCN(c2ccnnc2C(N)=O)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 1/20 0.48
HSD17B10 Q99714 1/20 0.48
LRRK2 Q5S007 1/20 0.41
CYP3A4 P08684 1/20 0.40
ADRA2C P18825 1/20 0.39
HTT P42858 2/20 0.39
GLA P06280 1/20 0.39
CHEK1 O14757 1/20 0.39
PARP1 P09874 1/20 0.38
SCN5A Q14524 1/20 0.37
CDK8 P49336 3/20 0.36
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
RECQL P46063 1/20 0.36
PTK2B Q14289 1/20 0.36
CDK19 Q9BWU1 1/20 0.36
POLB P06746 1/20 0.36
HRH4 Q9H3N8 1/20 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
SCHEMBL29889279 0.82 LRRK2 (0.43) KDM4EALDH1A1HSD17B10LRRK2HTT
SCHEMBL935378 0.79 KDM4E (0.48) KDM4EALDH1A1HSD17B10ADRA2CHTT
SCHEMBL30349531 0.77 PDE10A (0.46) LRRK2CDK8
SCHEMBL31302366 0.76 ADRA2C (0.49) KDM4EALDH1A1HSD17B10CYP3A4ADRA2C
SCHEMBL31005773 0.73 CYP3A4 (0.52) KDM4EALDH1A1HSD17B10CYP3A4CHEK1
SCHEMBL31330940 0.71
SCHEMBL17061682 0.70 CYP3A4 (0.49) KDM4EALDH1A1HSD17B10CYP3A4CHEK1
SCHEMBL31302397 0.69 MEN1 (0.48) KDM4EALDH1A1HSD17B10GLAMAPT
SCHEMBL28309038 0.69 SIRT3 (0.38) KDM4EALDH1A1HSD17B10PARP1MAPT
SCHEMBL3081421 0.68 NPC1 (0.70) KDM4EALDH1A1HSD17B10ADRA2CHTT

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-2125748-A2 ACYLAMINOPYRAZOLES AS FGFR INHIBITORS AstraZeneca AB (SE) 2009-12-02 EP disclosed
WO-2008075068-A2 ACYLAMINOPYRAZOLES AS FGFR INHIBITORS ASTRAZENECA AB (SE) 2008-06-26 WO disclosed