SCHEMBL5229751

SCHEMBL5229751

O=C1NCc2cnc(N[C@H]3CC[C@H](O)CC3)nc2N1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.55
MAPK8 P45983 12/20 0.43
MAPK9 P45984 9/20 0.43
MAPK10 P53779 5/20 0.43
MB P02144 1/20 0.41
AXL P30530 1/20 0.40
FLT3 P36888 1/20 0.40
TYRO3 Q06418 1/20 0.40
MERTK Q12866 1/20 0.40
GAS6 Q14393 1/20 0.40
GSK3B P49841 3/20 0.39
GSK3A P49840 2/20 0.39
MAP2K7 O14733 1/20 0.39
IKBKB O14920 1/20 0.39
MAPK13 O15264 1/20 0.39
CDK2 P24941 1/20 0.39
MAP2K4 P45985 1/20 0.39
MAPKAPK2 P49137 1/20 0.39
MAP2K6 P52564 1/20 0.39
MAPK12 P53778 1/20 0.39

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
SCHEMBL5229744 1.00 MAPK14 (0.55) MAPK14MAPK8MAPK9MAPK10MB
SCHEMBL3278620 0.84 MAPK7 (0.47) MAPK14MAPK8MAPK9MAPK10IKBKB
SCHEMBL3278304 0.74 MB (0.40) MAPK14MBALDH1A1
SCHEMBL3279085 0.73 MB (0.43) MBAXLFLT3TYRO3MERTK
SCHEMBL3278249 0.72 MB (0.43) MB
SCHEMBL5229406 0.72 MAPK14 (1.00) MAPK14MAPK8MAPK9MAPK10AXL
SCHEMBL5233582 0.72 MAPK14 (0.79) MAPK14MAPK8MAPK9MAPK10AXL
SCHEMBL5232688 0.72 MAPK14 (1.00) MAPK14MAPK8MAPK9MAPK10AXL
SCHEMBL5229413 0.72 MAPK14 (1.00) MAPK14MAPK8MAPK9MAPK10AXL
SCHEMBL5233575 0.72 MAPK14 (0.79) MAPK14MAPK8MAPK9MAPK10AXL

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-1228070-B1 HETEROALKYLAMINO-SUBSTITUTED BICYCLIC NITROGEN HETEROCYCLES AS INHIBITORS OF P38 PROTEIN KINASE HOFFMANN LA ROCHE (CH) 2007-02-07 EP disclosed