SCHEMBL18828989

SCHEMBL18828989

O=C(O)c1ccc2[nH]nc(N/C(=N/O)c3ccccc3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK7 P50613 6/20 0.48
JAK2 O60674 3/20 0.47
JAK1 P23458 3/20 0.47
MAP2K4 P45985 2/20 0.47
MAPK1 P28482 1/20 0.47
MAPKAPK3 Q16644 1/20 0.47
MAPK6 Q16659 1/20 0.47
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
AAK1 Q2M2I8 2/20 0.46
FGFR1 P11362 1/20 0.44
FGFR2 P21802 1/20 0.44
FGFR3 P22607 1/20 0.44
CDK2 P24941 3/20 0.43
CDC7 O00311 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL18812678 1.00 CDK7 (0.48) CDK7JAK2JAK1MAP2K4MAPK1
SCHEMBL18828988 1.00 CDK7 (0.48) CDK7JAK2JAK1MAP2K4MAPK1
SCHEMBL18828985 0.89 CDK7 (0.49) CDK7JAK2JAK1GSK3AGSK3B
SCHEMBL18828986 0.89 CDK7 (0.49) CDK7JAK2JAK1GSK3AGSK3B
SCHEMBL18812687 0.89 CDK7 (0.49) CDK7JAK2JAK1GSK3AGSK3B
SCHEMBL18812677 0.85 CDK7 (0.63) CDK7JAK2JAK1MAPK1FGFR1
SCHEMBL18828978 0.83 MAPK10 (0.52) CDK2
SCHEMBL18829002 0.83 MAPK10 (0.52) CDK2
SCHEMBL18932050 0.83 CDK7 (0.49) CDK7JAK2JAK1MAP2K4MAPK1
SCHEMBL18812674 0.80 JAK2 (0.57) JAK2JAK1MAP2K4MAPK1MAPKAPK3

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-3165523-A2 COMPOSITION FOR INDUCING CELL REPROGRAMMING Gwangju Institute of Science and Technology (KR) 2017-05-10 EP disclosed