SCHEMBL3471835

SCHEMBL3471835

O=S(=O)(CC1CC1)c1cccc(-c2ccc3cnc(-n4ncc5ccccc54)nn23)c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 10/20 0.37
PTK2 Q05397 5/20 0.37
PDE10A Q9Y233 1/20 0.35
CCNT1 O60563 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
CDK9 P50750 1/20 0.33
CHEK1 O14757 1/20 0.33
ATR Q13535 1/20 0.33
PDCD1 Q15116 1/20 0.33
ATRIP Q8WXE1 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
CNR2 P34972 1/20 0.30

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
SCHEMBL521256 0.77 JAK2 (0.43) JAK2PTK2CCNT1CDK9
SCHEMBL520212 0.77 JAK2 (0.50) JAK2PTK2
SCHEMBL522076 0.75 JAK2 (0.41) JAK2PTK2CNR2
SCHEMBL522000 0.74 JAK2 (0.49) JAK2PTK2
SCHEMBL16530345 0.70 JAK2 (0.48) JAK2PTK2
SCHEMBL522100 0.69 JAK2 (0.49) JAK2PTK2
SCHEMBL521137 0.68 JAK2 (0.48) JAK2PTK2CDK1
SCHEMBL521169 0.67 JAK2 (0.45) JAK2PTK2
SCHEMBL521685 0.65 JAK2 (0.42) JAK2PTK2CCNT1CDK9
SCHEMBL521134 0.65 KCNH2 (0.44) JAK2PTK2CCNT1CDK9

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-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 WO claimed