SCHEMBL3470160

SCHEMBL3470160

C[S+]([O-])c1ncc2ccc(-c3cccc(C(N)=O)c3)n2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 13/20 0.47
DYRK1A Q13627 1/20 0.40
TLR8 Q9NR97 1/20 0.39
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4D Q08499 1/20 0.38
CCNT1 O60563 1/20 0.37
CCND1 P24385 1/20 0.37
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
CDK7 P50613 1/20 0.37
CDK9 P50750 1/20 0.37
CCNH P51946 1/20 0.37
MNAT1 P51948 1/20 0.37
CDK6 Q00534 1/20 0.37
PIK3CD O00329 1/20 0.37
PIK3R1 P27986 1/20 0.37
RIPK2 O43353 1/20 0.37
AKT1 P31749 1/20 0.37
AKT2 P31751 1/20 0.37

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
SCHEMBL520970 0.84 FYN (0.40) FYNDYRK1APDE4D
SCHEMBL3470162 0.83 CDK9 (0.42) FYNDYRK1ACCNT1CDK8CDK7
SCHEMBL519160 0.80 DYRK3 (0.43) FYNDYRK1ACCNT1CDK9
SCHEMBL520344 0.80 DYRK1A (0.45) DYRK1ACCNT1CDK8CDK9
SCHEMBL520662 0.79 INSR (0.44) FYNDYRK1ACDK8CDK7CDK9
SCHEMBL520240 0.79 KCNH2 (0.48) FYNDYRK1ACCNT1CDK9
SCHEMBL521326 0.78 KDM4E (0.45) FYNDYRK1ACCNT1CDK9
SCHEMBL519748 0.74 JAK2 (0.56) PIK3CD
SCHEMBL520885 0.73 MEN1 (0.39) FYNPIK3CD
SCHEMBL521375 0.73 FYN (0.36) FYN

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-2376491-B1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON INC (US) 2015-03-04 EP disclosed
US-8471005-B2 Pyrrolotriazines as ALK and JAK2 inhibitors CEPHALON, INC. (US) 2013-06-25 US disclosed
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 WO disclosed