SCHEMBL7145859

SCHEMBL7145859

COc1ccc(-c2cccc(Cl)c2)n2nc(NC(=O)c3ccc(F)cc3)nc12

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.54
LMNA P02545 2/20 0.48
TDP2 O95551 3/20 0.48
PDE4D Q08499 8/20 0.47
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
JAK1 P23458 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
TP53 P04637 2/20 0.42
GRM5 P41594 1/20 0.41

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
SCHEMBL7146843 0.89 LMNA (0.49) JAK2LMNATDP2PDE4DKDM4E
SCHEMBL7039193 0.88 LMNA (0.61) JAK2LMNAPDE4DKDM4EMAPT
SCHEMBL6871008 0.86 JAK2 (0.51) JAK2LMNAPDE4DKDM4EMAPT
SCHEMBL7143995 0.86 ADORA1 (0.53) TDP2PDE4DKDM4EMAPTSMN1; SMN2
SCHEMBL7143130 0.85 PDE4D (0.52) JAK2LMNAPDE4DKDM4EMAPT
SCHEMBL7149099 0.84 KDM4E (0.55) JAK2LMNAPDE4DKDM4EMAPT
SCHEMBL7146900 0.82 PDE4D (0.50) JAK2LMNAPDE4DKDM4EMAPT
SCHEMBL7762456 0.82 SMN1; SMN2 (0.45) JAK2PDE4DMAPTJAK1SMN1; SMN2
SCHEMBL7145623 0.81 LMNA (0.48) JAK2LMNAPDE4DKDM4EMAPT
SCHEMBL7151579 0.81 LMNA (0.46) JAK2LMNAPDE4DKDM4EMAPT

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