SCHEMBL17850416

SCHEMBL17850416

Cc1ccc(Cn2nc(-c3ccc(O)c(F)c3)ccc2=O)cc1C(=N)c1cn(-c2ccc(C(=O)N3CCOCC3)cc2)nn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 2/20 0.39
GAA P10253 2/20 0.36
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
CNR2 P34972 1/20 0.35
KDM4E B2RXH2 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MET P08581 3/20 0.34
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL17850422 0.90 MET (0.39) MEN1KMT2APOLBGAAIDO1
SCHEMBL10194740 0.83 GAA (0.39) POLBGAAIDO1TDO2KDM4E
SCHEMBL17850442 0.82 MET (0.39) MEN1KMT2APOLBCNR2KDM4E
SCHEMBL10194759 0.80 JAK2 (0.40) GAAIDO1TDO2ALDH1A1KDM4E
SCHEMBL17850389 0.74 MET (0.44) IDO1TDO2ALDH1A1METSMN1; SMN2
SCHEMBL10194916 0.73 IDO1 (0.42) MEN1KMT2AGAAIDO1TDO2
SCHEMBL10194694 0.71 MET (0.42) GAAIDO1TDO2ALDH1A1KDM4E
SCHEMBL10194788 0.71 JAK2 (0.42) POLBGAAIDO1TDO2KDM4E
SCHEMBL10194761 0.70 MET (0.39) GAAIDO1TDO2ALDH1A1KDM4E
SCHEMBL17850414 0.69 HPGD (0.40) GAAIDO1TDO2ALDH1A1KDM4E

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