SCHEMBL10195028

SCHEMBL10195028

O=C(NCC1=CCCO1)c1ccc(-n2cc(-c3n[nH]c4ccccc34)nn2)cc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITK Q08881 4/20 0.44
MIF P14174 5/20 0.43
MAPK8 P45983 5/20 0.41
MAPK3 P27361 1/20 0.38
MAPK1 P28482 1/20 0.38
MAPK10 P53779 3/20 0.38
MAPT P10636 1/20 0.36
MAP2K4 P45985 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL10195022 0.81 MAPK8 (0.48) ITKMIFMAPK8MAPK3MAPK1
SCHEMBL10195545 0.81 MAPT (0.47) MIFMAPK8MAPK1MAPTMEN1
SCHEMBL10194751 0.80 ITK (0.52) ITKMIFMAPK8MAP2K4
SCHEMBL9953128 0.80 MAPK1 (0.53) ITKMIFMAPK8MAPK3MAPK1
SCHEMBL10194952 0.79 HPGD (0.52) MAPTMEN1KMT2A
SCHEMBL10195548 0.79 ITK (0.47) ITKMIFMAPK8MAPK3MAPK1
SCHEMBL10195023 0.78 KDM4E (0.54) ITKMIFMAPK8MAPK1MAPK10
SCHEMBL10195025 0.78 FLT3 (0.51) ITKMIFMAPK8MAPK1MAP2K4
SCHEMBL9952538 0.78 MAPK8 (0.45) ITKMIFMAPK8MAPK3MAPK1
SCHEMBL10194946 0.77 PARP1 (0.48) MAPK8MAPTMEN1KMT2A

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