SCHEMBL5784013

SCHEMBL5784013

NC(=O)C1CCNCC1CCn1cc2c(-c3ccc(F)cc3)c(-c3ccncc3)c(-c3ccc(F)cc3)nc2n1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 7/20 0.38
CSNK1E P49674 5/20 0.38
MAPK14 Q16539 11/20 0.37
MAPK11 Q15759 7/20 0.37
KCNH2 Q12809 1/20 0.37
MAPK13 O15264 3/20 0.35
MAPK12 P53778 3/20 0.35
RAF1 P04049 2/20 0.35
MAPK9 P45984 2/20 0.35
RIPK3 Q9Y572 2/20 0.34
HTR3A P46098 1/20 0.33
CSNK1A1 P48729 1/20 0.33

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
SCHEMBL2931870 0.83 MAPK14 (0.44) CSNK1DCSNK1EMAPK14MAPK11MAPK13
SCHEMBL1386590 0.80 NPC1 (0.40) CSNK1DCSNK1EMAPK14MAPK11KCNH2
SCHEMBL2932159 0.79 ADORA2A (0.40) CSNK1DCSNK1EMAPK14MAPK11KCNH2
SCHEMBL1386174 0.78 GRM2 (0.41) CSNK1DCSNK1EMAPK14MAPK11KCNH2
SCHEMBL1385787 0.78 RIPK3 (0.48) CSNK1DCSNK1EMAPK14MAPK11MAPK13
SCHEMBL1384346 0.78 MAPK14 (0.42) CSNK1DCSNK1EMAPK14MAPK11MAPK13
SCHEMBL2927446 0.77 MAPK14 (0.46) CSNK1DCSNK1EMAPK14MAPK11MAPK13
SCHEMBL1383998 0.76 MAPK14 (0.47) CSNK1DCSNK1EMAPK14MAPK11MAPK13
SCHEMBL1384274 0.76 MAPK14 (0.46) CSNK1DCSNK1EMAPK14MAPK11MAPK13
SCHEMBL1384099 0.76 MAPK14 (0.41) CSNK1DCSNK1EMAPK14MAPK11MAPK13

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-1611131-A1 PYRAZOLOPYRIDINE DERIVATES J. Uriach y Compagnia S.A. (ES) 2006-01-04 EP disclosed
WO-2004076450-A1 PYRAZOLOPYRIDINE DERIVATES J. Uriach Y Compañia S.A. (ES) 2004-09-10 WO disclosed