SCHEMBL28044663

SCHEMBL28044663

CSc1ncc2c(n1)-c1[nH]cc(OC(C)=O)c1CC2

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 4/20 0.43
PIM2 Q9P1W9 4/20 0.43
TTK P33981 3/20 0.43
CCNA2 P20248 9/20 0.35
CDK2 P24941 9/20 0.35
DUSP10 Q9Y6W6 5/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
NTRK1 P04629 1/20 0.32

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
SCHEMBL27919687 0.85 SLC22A6 (0.33) TTKCCNA2CDK2
SCHEMBL27919667 0.84 MAP3K14 (0.43) TTKCCNA2CDK2KDM4EALDH1A1
SCHEMBL12466293 0.80 PIM1 (0.47) PIM1PIM2TTKCCNA2CDK2
SCHEMBL12466564 0.80 PIM1 (0.45) PIM1PIM2TTKCCNA2CDK2
SCHEMBL12466565 0.79 PIM1 (0.57) PIM1PIM2TTKCCNA2CDK2
Hydrochloric Acid SCHEMBL28044763 0.71 PIM1 (0.70) PIM1PIM2TTKCCNA2CDK2
SCHEMBL12466369 0.70 PIM1 (0.44) PIM1PIM2TTKCCNA2CDK2
SCHEMBL9940810 0.70 PIM1 (0.52) PIM1PIM2TTKCCNA2CDK2
SCHEMBL12466433 0.69 PIM1 (0.51) PIM1PIM2TTKCCNA2CDK2
SCHEMBL12466414 0.68 CCNA2 (0.46) PIM1PIM2TTKCCNA2CDK2

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