SCHEMBL100799

SCHEMBL100799

C[Si](C)(C)CCOCn1ccc2c(-c3cnn(CCC=O)c3)ncnc21

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 5/20 0.35
JAK2 O60674 8/20 0.33
HDAC6 Q9UBN7 8/20 0.33
HDAC1 Q13547 6/20 0.33
HDAC3 O15379 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
TPH1 P17752 1/20 0.32
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL19075431 0.86 JAK2 (0.38) DGAT1JAK2JAK1TYK2JAK3
SCHEMBL19601282 0.85 SIGMAR1 (0.43) DGAT1SIGMAR1
SCHEMBL13243593 0.82 DGAT1 (0.37) DGAT1TPH1SIGMAR1
SCHEMBL14983746 0.81 SIGMAR1 (0.35) DGAT1JAK2HDAC6HDAC1HDAC3
SCHEMBL25813723 0.81 LRRK2 (0.38) DGAT1JAK2JAK1TYK2JAK3
SCHEMBL1498997 0.81 SIGMAR1 (0.33) DGAT1JAK2JAK1TPH1SIGMAR1
SCHEMBL5133827 0.81 JAK2 (0.34) DGAT1JAK2HDAC6HDAC1HDAC3
SCHEMBL19075441 0.81 SIGMAR1 (0.44) DGAT1JAK2HDAC6HDAC1HDAC3
SCHEMBL99469 0.80 JAK1 (0.33) DGAT1JAK2JAK1TYK2JAK3
SCHEMBL16980124 0.80 SIGMAR1 (0.36) DGAT1JAK2HDAC6HDAC1HDAC3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2426129-A1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors Incyte Corporation (US) 2012-03-07 EP disclosed
EP-2348023-A1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors Incyte Corporation (US) 2011-07-27 EP disclosed
EP-2343299-A1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors Incyte Corporation (US) 2011-07-13 EP disclosed