SCHEMBL3961463

SCHEMBL3961463

COc1ccc(-n2ncc(C#N)c2N)cc1.COc1ccc(-n2ncc(C(N)=O)c2N)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.58
XDH P47989 2/20 0.57
KMT2A Q03164 3/20 0.56
F2 P00734 1/20 0.56
MAPKAPK2 P49137 1/20 0.54
PTPN1 P18031 1/20 0.54
RIPK2 O43353 1/20 0.53
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 1/20 0.50
PTGS1 P23219 2/20 0.48
PTGS2 P35354 2/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
LOX P28300 1/20 0.48
CA9 Q16790 1/20 0.48
NPBWR1 P48145 1/20 0.47

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
SCHEMBL2786396 0.89 MAPK14 (0.70) MAPK14XDHMAPKAPK2PTPN1RIPK2
SCHEMBL3300932 0.88 KMT2A (0.66) MAPK14XDHKMT2AF2MAPKAPK2
SCHEMBL3296237 0.79 PTPN1 (0.79) MAPK14MAPKAPK2PTPN1RIPK2RAB9A
SCHEMBL23723511 0.75 RIPK2 (0.65) MAPK14MAPKAPK2PTPN1RIPK2RAB9A
SCHEMBL30120709 0.75 RIPK2 (0.65) MAPK14MAPKAPK2PTPN1RIPK2RAB9A
SCHEMBL13799335 0.75 XDH (0.57) MAPK14XDHKMT2ARIPK2KDM4E
SCHEMBL1692019 0.74 RIPK2 (0.71) MAPK14MAPKAPK2PTPN1RIPK2RAB9A
SCHEMBL17877705 0.74 KMT2A (0.61) MAPK14XDHKMT2AF2KDM4E
SCHEMBL544885 0.74 KMT2A (0.71) XDHKMT2AF2RIPK2KDM4E
SCHEMBL30120645 0.74 KMT2A (0.71) XDHKMT2AF2RIPK2KDM4E

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-2079702-A1 3-AMINO-PYRAZOLE-4-CARBOXAMIDE DERIVATIVES USEFUL AS INHIBITORS OF PROTEIN KINASES Novartis AG (CH) 2009-07-22 EP disclosed
WO-2008052974-A1 3-AMINO-PYRAZOLE-4-CARBOXAMIDE DERIVATIVES USEFUL AS INHIBITORS OF PROTEIN KINASES NOVARTIS AG (CH) 2008-05-08 WO disclosed