SCHEMBL17850461

SCHEMBL17850461

CCCC(CCC)CNc1ccc2[nH]nc(-c3cn(-c4ccc(C(=O)N5CCOCC5)cc4)nn3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 3/20 0.43
FLT3 P36888 12/20 0.42
MAPK10 P53779 1/20 0.42
JAK2 O60674 1/20 0.41
PDPK1 O15530 1/20 0.37
GRM4 Q14833 2/20 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
SCHEMBL10194802 0.84 FLT3 (0.45) LRRK2FLT3MAPK10JAK2PDPK1
SCHEMBL17850469 0.83 FGFR1 (0.47) LRRK2FLT3MAPK10JAK2PDPK1
SCHEMBL10194781 0.82 JAK2 (0.49) LRRK2FLT3MAPK10JAK2
SCHEMBL10194763 0.81 JAK2 (0.50) LRRK2FLT3MAPK10JAK2
SCHEMBL10194890 0.81 AXL (0.50) LRRK2FLT3MAPK10JAK2PDPK1
SCHEMBL10194698 0.80 MAPK10 (0.49) LRRK2FLT3MAPK10JAK2
SCHEMBL10194757 0.80 JAK2 (0.49) LRRK2FLT3MAPK10JAK2
SCHEMBL9951916 0.80 JAK2 (0.49) LRRK2FLT3MAPK10JAK2
SCHEMBL10194764 0.80 JAK2 (0.49) LRRK2FLT3MAPK10JAK2
SCHEMBL10194998 0.80 FLT3 (0.44) LRRK2FLT3MAPK10JAK2GRM4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2655357-B1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS MERCK SERONO SA (CH) 2016-06-22 EP disclosed