SCHEMBL28044826

SCHEMBL28044826

CSc1ncc2ccc3c(OC(C)=O)c[nH]c3c2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 7/20 0.40
TTK P33981 6/20 0.40
PIM2 Q9P1W9 6/20 0.40
SLC22A6 Q4U2R8 1/20 0.40
TET2 Q6N021 1/20 0.34
TET1 Q8NFU7 1/20 0.34
HASPIN Q8TF76 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
AURKA O14965 1/20 0.33
DAPK3 O43293 1/20 0.33
JAK2 O60674 1/20 0.33
ROCK2 O75116 1/20 0.33
CHEK2 O96017 1/20 0.33
CDK1 P06493 1/20 0.33
FGFR1 P11362 1/20 0.33
PRKACA P17612 1/20 0.33
RPS6KB1 P23443 1/20 0.33
CDK2 P24941 1/20 0.33
MARK3 P27448 1/20 0.33

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
SCHEMBL12466634 0.80 TET2 (0.47) PIM1TTKPIM2TET2TET1
SCHEMBL12466284 0.79 NR4A2 (0.46) PIM1TTKPIM2
SCHEMBL12466645 0.78 PIM1 (0.52) PIM1TTKPIM2TET2TET1
SCHEMBL28824589 0.77 PIM1 (0.39) PIM1TTKPIM2HASPINNPC1
SCHEMBL28044742 0.75 PIM1 (0.47) PIM1TTKPIM2SLC22A6HASPIN
SCHEMBL12466687 0.68 PIM1 (0.47) PIM1TTKPIM2HASPINNPC1
SCHEMBL9940611 0.68 PIM1 (0.49) PIM1TTKPIM2HASPINNPC1
SCHEMBL12466430 0.68 PIM1 (0.56) PIM1TTKPIM2HASPINNPC1
SCHEMBL12466601 0.67 ALDH1A1 (0.44) PIM1TTKPIM2NPC1RAB9A
SCHEMBL9940993 0.67 KDM4E (0.45) PIM1TTKPIM2MAPK1MEN1

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
CN-103339134-B Tricyclic pyrrolo derivatives, process for their preparation and their use as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-12-23 CN disclosed