SCHEMBL28044740

SCHEMBL28044740

CSc1ncc2ccc3c(OC(C)=O)cn(C4CCN(C(=O)OC(C)(C)C)CC4)c3c2n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 5/20 0.52
TTK P33981 5/20 0.52
PIM2 Q9P1W9 5/20 0.52
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
HCAR1 Q9BXC0 1/20 0.38
GPR119 Q8TDV5 5/20 0.37
JAK2 O60674 2/20 0.37
JAK1 P23458 2/20 0.37
TYK2 P29597 2/20 0.37
JAK3 P52333 2/20 0.37
NR3C1 P04150 2/20 0.36
PRKCG P05129 1/20 0.36
PRKCB P05771 1/20 0.36
PRKCA P17252 1/20 0.36
PRKCH P24723 1/20 0.36
PRKCE Q02156 1/20 0.36
PRKCD Q05655 1/20 0.36
TNF P01375 2/20 0.35
LITAF Q99732 2/20 0.35

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
SCHEMBL12466447 0.86 PIM1 (0.60) PIM1TTKPIM2CCNA2CDK2
SCHEMBL12466396 0.86 PIM1 (0.72) PIM1TTKPIM2CCNA2CDK2
SCHEMBL12694274 0.85 PIM1 (0.59) PIM1TTKPIM2CCNA2CDK2
SCHEMBL9940743 0.77 PIM1 (0.49) PIM1TTKPIM2CCNA2CDK2
SCHEMBL28044752 0.76 PIM1 (0.53) PIM1TTKPIM2CCNA2CDK2
SCHEMBL12466428 0.75 PIM1 (0.41) PIM1TTKPIM2CCNA2CDK2
SCHEMBL28044742 0.75 PIM1 (0.47) PIM1TTKPIM2
SCHEMBL20641778 0.74 HCAR1 (0.41) PIM1TTKPIM2CCNA2CDK2
SCHEMBL11025920 0.72 PIM1 (0.47) PIM1TTKPIM2CCNA2CDK2
SCHEMBL20641795 0.72 HCAR1 (0.46) CCNA2CDK2HCAR1GPR119NR3C1

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