SCHEMBL13558239

SCHEMBL13558239

Bc1ccc2c(c1)c1c(=O)[nH]ccc1c1[nH]c(C3CCCC3)nc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 4/20 0.41
JAK2 O60674 4/20 0.41
JAK3 P52333 3/20 0.41
JAK1 P23458 2/20 0.41
TYK2 P29597 2/20 0.41
IKBKB O14920 1/20 0.41
MAPK13 O15264 1/20 0.41
DAPK3 O43293 1/20 0.41
PRKD3 O94806 1/20 0.41
FYN P06241 1/20 0.41
RET P07949 1/20 0.41
HCK P08631 1/20 0.41
PDGFRB P09619 1/20 0.41
PIM1 P11309 1/20 0.41
FGFR1 P11362 1/20 0.41
PDGFRA P16234 1/20 0.41
PRKCA P17252 1/20 0.41
PRKACA P17612 1/20 0.41
FLT1 P17948 1/20 0.41
FGFR2 P21802 1/20 0.41

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
SCHEMBL3620725 0.87 PIM1 (0.43) CHEK1JAK2JAK3JAK1TYK2
SCHEMBL5759875 0.87 JAK2 (0.56) CHEK1JAK2JAK3JAK1TYK2
SCHEMBL5762175 0.86 JAK2 (0.55) CHEK1JAK2JAK3JAK1TYK2
SCHEMBL3616391 0.83 CHEK1 (0.40) CHEK1JAK2JAK3JAK1TYK2
SCHEMBL3614243 0.83 CHEK1 (0.43) CHEK1JAK2JAK3JAK1TYK2
SCHEMBL3621441 0.81 ROCK2 (0.53) CHEK1JAK2ROCK1
SCHEMBL3621700 0.80 CHEK1 (0.39) CHEK1JAK2JAK3JAK1TYK2
SCHEMBL3623711 0.80 CHEK1 (0.49) CHEK1JAK2JAK3JAK1TYK2
SCHEMBL3618943 0.80 HPGD (0.43) CHEK1JAK2JAK3JAK1TYK2
SCHEMBL3620214 0.79 HTR2B (0.40) CHEK1JAK2JAK3JAK1TYK2

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-2032141-B1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME (US) 2012-10-31 EP disclosed