SCHEMBL10195370

SCHEMBL10195370

O=C(c1ccc(-n2cc(-c3n[nH]c4cc(CCO)ccc34)nn2)cc1)N1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 1/20 0.46
JAK2 O60674 1/20 0.42
FLT3 P36888 5/20 0.40
MAPK14 Q16539 1/20 0.40
PARP1 P09874 1/20 0.39
CHEK1 O14757 4/20 0.39
CDK7 P50613 3/20 0.39
PIK3CA P42336 1/20 0.39
GAA P10253 1/20 0.38
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
STAT3 P40763 1/20 0.38
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
LRRK2 Q5S007 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 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
SCHEMBL10194783 0.95 MAPK10 (0.45) MAPK10JAK2FLT3MAPK14PARP1
SCHEMBL10194805 0.94 MAPK10 (0.44) MAPK10JAK2FLT3MAPK14PARP1
SCHEMBL10194789 0.93 MAPK10 (0.47) MAPK10JAK2FLT3MAPK14CHEK1
SCHEMBL10194799 0.91 MAPK10 (0.47) MAPK10JAK2FLT3MAPK14CHEK1
SCHEMBL10194891 0.89 MAPK10 (0.42) MAPK10JAK2FLT3CHEK1CDK7
SCHEMBL10194962 0.88 MAPK10 (0.45) MAPK10JAK2FLT3CHEK1CDK7
SCHEMBL10194816 0.88 JAK2 (0.49) MAPK10JAK2FLT3MAPK14CHEK1
SCHEMBL10194797 0.88 MAPK10 (0.42) MAPK10JAK2FLT3MAPK14PARP1
SCHEMBL10196821 0.88 JAK2 (0.46) MAPK10JAK2FLT3CHEK1PIK3CA
SCHEMBL10194698 0.86 MAPK10 (0.49) MAPK10JAK2FLT3MAPK14PIK3CA

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
WO-2012084704-A1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS MERCK SERONO S.A. (CH) 2012-06-28 WO disclosed