SCHEMBL28044752

SCHEMBL28044752

CSc1ncc2c(n1)-c1c(c(OC(C)=O)cn1C1CCN(C(=O)OC(C)(C)C)CC1)CC2

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 4/20 0.53
PIM2 Q9P1W9 4/20 0.53
TTK P33981 3/20 0.51
CCNA2 P20248 8/20 0.48
CDK2 P24941 8/20 0.48
CCNA1 P78396 7/20 0.42
PLK1 P53350 1/20 0.36
PLK3 Q9H4B4 1/20 0.36
PLK2 Q9NYY3 1/20 0.36
GPR119 Q8TDV5 6/20 0.36
HCAR1 Q9BXC0 1/20 0.35
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34

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
SCHEMBL27919681 0.88 CCNA2 (0.44) PIM1PIM2TTKCCNA2CDK2
SCHEMBL12694291 0.87 PIM1 (0.61) PIM1PIM2TTKCCNA2CDK2
SCHEMBL12694287 0.86 PIM1 (0.72) PIM1PIM2TTKCCNA2CDK2
SCHEMBL12694272 0.85 PIM1 (0.59) PIM1PIM2TTKCCNA2CDK2
Hydrochloric Acid SCHEMBL28044763 0.85 PIM1 (0.70) PIM1PIM2TTKCCNA2CDK2
SCHEMBL28044740 0.76 PIM1 (0.52) PIM1PIM2TTKCCNA2CDK2
SCHEMBL15364355 0.75 CCNA2 (0.49) PIM1PIM2TTKCCNA2CDK2
SCHEMBL12466424 0.75 CCNA2 (0.57) PIM1PIM2TTKCCNA2CDK2
SCHEMBL9940453 0.74 CDK2 (0.49) PIM1PIM2TTKCCNA2CDK2
SCHEMBL12466309 0.73 CCNA2 (0.50) 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