SCHEMBL20512422

SCHEMBL20512422

C[Si](C)(C)CCOn1ccc2c(-c3cnn(C(CCOS(C)(=O)=O)CCOS(C)(=O)=O)c3)ncnc21

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 4/20 0.33
JAK2 O60674 3/20 0.33
SIGMAR1 Q99720 1/20 0.32
TYK2 P29597 2/20 0.31
JAK3 P52333 2/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
NCOR2 Q9Y618 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
SCHEMBL101874 0.86 JAK1 (0.33) JAK1JAK2SIGMAR1TYK2JAK3
SCHEMBL22584056 0.73 JAK2 (0.35) JAK1JAK2SIGMAR1TYK2JAK3
SCHEMBL98626 0.72 JAK2 (0.35) JAK1JAK2SIGMAR1TYK2JAK3
SCHEMBL100209 0.71 JAK2 (0.37) JAK1JAK2TYK2JAK3HDAC6
SCHEMBL16673721 0.71 JAK2 (0.58) JAK1JAK2TYK2JAK3HDAC3
SCHEMBL99607 0.70 JAK2 (0.40) JAK1JAK2SIGMAR1TYK2JAK3
SCHEMBL100749 0.69 TPH1 (0.35) JAK1JAK2SIGMAR1TYK2JAK3
SCHEMBL99469 0.68 JAK1 (0.33) JAK1JAK2SIGMAR1TYK2JAK3
SCHEMBL101721 0.68 JAK2 (0.41) JAK1JAK2SIGMAR1TYK2JAK3
SCHEMBL16673537 0.68 SIGMAR1 (0.34) JAK1JAK2SIGMAR1TYK2JAK3

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
EP-3184526-B1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES AS JANUS KINASE INHIBITOR INCYTE HOLDINGS CORP (US) 2018-10-03 EP disclosed