SCHEMBL17850429

SCHEMBL17850429

O=C(c1ccc(-n2cc(-c3n[nH]c4ccc(Cn5nc(-c6cc(F)cc(F)c6)ccc5=O)cc34)[nH]2)cc1)N1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MET P08581 8/20 0.43
JAK2 O60674 1/20 0.41
MAPK10 P53779 1/20 0.39
LRRK2 Q5S007 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
FLT3 P36888 3/20 0.38
GAA P10253 1/20 0.37
CHEK1 O14757 1/20 0.37
CDK7 P50613 1/20 0.37
TSHR P16473 1/20 0.36
ROCK1 Q13464 1/20 0.36
NTRK1 P04629 1/20 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
SCHEMBL10194694 0.88 MET (0.42) METJAK2MAPK10LRRK2KDM4E
SCHEMBL10194761 0.84 MET (0.39) METJAK2MAPK10LRRK2KDM4E
SCHEMBL9952385 0.80 JAK2 (0.41) METJAK2MAPK10LRRK2KDM4E
SCHEMBL10194759 0.79 JAK2 (0.40) METJAK2MAPK10LRRK2KDM4E
SCHEMBL10194788 0.79 JAK2 (0.42) METJAK2MAPK10LRRK2KDM4E
SCHEMBL10196685 0.78 MAPK10 (0.41) METJAK2MAPK10LRRK2MAPT
SCHEMBL10194734 0.77 JAK2 (0.41) METJAK2MAPK10LRRK2FLT3
SCHEMBL9952225 0.76 GAA (0.44) JAK2MAPK10LRRK2KDM4EALDH1A1
SCHEMBL9951714 0.74 MET (0.41) MET
SCHEMBL9952483 0.72 MAPK10 (0.45) JAK2MAPK10LRRK2ALDH1A1FLT3

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