SCHEMBL4249790

SCHEMBL4249790

Cc1nccn1Cc1ccc(Nc2nc(-c3cc(C#C[Si](C)(C)C)cs3)c3cc[nH]c3n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.38
JAK1 P23458 2/20 0.33
TTK P33981 2/20 0.33
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TNIK Q9UKE5 1/20 0.32
HTR1A P08908 1/20 0.31
HTR2C P28335 1/20 0.31
KDR P35968 3/20 0.31
LRRK2 Q5S007 3/20 0.31
CHEK1 O14757 2/20 0.31
AURKA O14965 2/20 0.31
MAP4K4 O95819 2/20 0.31
PAK4 O96013 2/20 0.31
ABL1 P00519 2/20 0.31
CSF1R P07333 2/20 0.31
RET P07949 2/20 0.31
LTK P29376 2/20 0.31
MAPK8 P45983 2/20 0.31
MAPK9 P45984 2/20 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
SCHEMBL3964284 0.90 JAK2 (0.37) JAK2JAK1TTKLMNAL3MBTL1
SCHEMBL4081376 0.87 JAK2 (0.40) JAK2JAK1TTKLMNAL3MBTL1
SCHEMBL13883576 0.79 JAK2 (0.40) JAK2JAK1TTKLMNAL3MBTL1
SCHEMBL13883557 0.78 IKBKB (0.40) JAK2JAK1TTKLMNAL3MBTL1
SCHEMBL4077621 0.78 JAK2 (0.37) JAK2JAK1TTKLMNAL3MBTL1
SCHEMBL13883496 0.78 JAK2 (0.38) JAK2JAK1TTKLMNAL3MBTL1
SCHEMBL4255795 0.76 JAK1 (0.38) JAK2JAK1TTKLMNAL3MBTL1
SCHEMBL3973621 0.76 JAK2 (0.38) JAK2JAK1TTKLMNAL3MBTL1
SCHEMBL4251723 0.76 JAK2 (0.46) JAK2JAK1TTKLMNAL3MBTL1
SCHEMBL13883718 0.75 AXL (0.38) JAK2JAK1TTKTNIK

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
WO-2009049028-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USE AS JANUS KINASE MODULATORS TARGEGEN INC. (US) 2009-04-16 WO disclosed