SCHEMBL7146843

SCHEMBL7146843

COc1ccc(-c2ccc(Cl)cc2)n2nc(NC(=O)c3ccc(F)cc3)nc12

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
MAPT P10636 5/20 0.49
PDE4D Q08499 6/20 0.48
JAK2 O60674 1/20 0.46
KDM4E B2RXH2 2/20 0.45
PARP15 Q460N3 1/20 0.44
TNKS2 Q9H2K2 1/20 0.44
PARP2 Q9UGN5 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
PTGS2 P35354 1/20 0.43
TP53 P04637 1/20 0.43
TDP2 O95551 1/20 0.42
ADCY1 Q08828 1/20 0.42

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
SCHEMBL7149099 0.91 KDM4E (0.55) LMNAMAPTPDE4DJAK2KDM4E
SCHEMBL7039193 0.90 LMNA (0.61) LMNAMAPTPDE4DJAK2KDM4E
SCHEMBL7145859 0.89 JAK2 (0.54) LMNAMAPTPDE4DJAK2KDM4E
SCHEMBL7145623 0.88 LMNA (0.48) LMNAMAPTPDE4DJAK2KDM4E
SCHEMBL7151579 0.84 LMNA (0.46) LMNAMAPTPDE4DJAK2KDM4E
SCHEMBL7143968 0.82 LMNA (0.47) LMNAMAPTJAK2KDM4ESMN1; SMN2
SCHEMBL6870164 0.82 KDM4E (0.58) LMNAMAPTPDE4DJAK2KDM4E
SCHEMBL7140763 0.81 MAPT (0.68) LMNAMAPTPDE4DJAK2KDM4E
SCHEMBL7767039 0.80 SMN1; SMN2 (0.46) LMNAMAPTPDE4DJAK2KDM4E
SCHEMBL7041685 0.80 GABRD (0.47) LMNAMAPTKDM4EPARP15TNKS2

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
US-6514989-B1 Has a good affinity to the adenosine receptor and can therefore be used for the treatment or protection of diseases mediated by this receptor HOFFMANN-LA ROCHE INC. 2003-02-04 US disclosed
US-6514989-B1 Has a good affinity to the adenosine receptor and can therefore be used for the treatment or protection of diseases mediated by this receptor HOFFMANN-LA ROCHE INC. 2003-02-04 US disclosed
US-6514989-B1 Has a good affinity to the adenosine receptor and can therefore be used for the treatment or protection of diseases mediated by this receptor HOFFMANN-LA ROCHE INC. 2003-02-04 US disclosed