SCHEMBL2483802

SCHEMBL2483802

CCCCNS(=O)(=O)c1cccc(-c2ccc3cnc([S+](C)[O-])nn23)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CG P48736 1/20 0.44
JAK2 O60674 7/20 0.42
ALDH1A1 P00352 2/20 0.41
PTK2 Q05397 2/20 0.39
TP53 P04637 1/20 0.38
POLB P06746 4/20 0.36
MAPT P10636 1/20 0.36
LMNA P02545 3/20 0.35
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPK1 P28482 1/20 0.35
BRD4 O60885 1/20 0.35
TSHR P16473 1/20 0.34

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
SCHEMBL519748 0.85 JAK2 (0.56) PIK3CDPIK3CAPIK3CGJAK2ALDH1A1
SCHEMBL2482773 0.85 PIK3CD (0.47) PIK3CDPIK3CAPIK3CGJAK2ALDH1A1
SCHEMBL520240 0.82 KCNH2 (0.48) PIK3CAJAK2PTK2
SCHEMBL522076 0.77 JAK2 (0.41) JAK2PTK2
SCHEMBL519850 0.76 JAK2 (0.38) JAK2PTK2
SCHEMBL519625 0.75 JAK2 (0.48) PIK3CDPIK3CAPIK3CGJAK2ALDH1A1
SCHEMBL3470162 0.74 CDK9 (0.42) JAK2PTK2
SCHEMBL521702 0.74 FYN (0.35) JAK2ALDH1A1PTK2
SCHEMBL519160 0.73 DYRK3 (0.43) JAK2ALDH1A1PTK2MAPTLMNA
SCHEMBL519903 0.73 JAK2 (0.41) JAK2PTK2BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2376491-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS Cephalon, Inc. (US) 2011-10-19 EP disclosed
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 WO disclosed