SCHEMBL22792247

SCHEMBL22792247

CS(=O)(=O)CCCn1cccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.38
CREBBP Q92793 2/20 0.38
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
DAO P14920 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37
FDPS P14324 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 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
SCHEMBL12105119 0.89 DAO (0.39) BRD4CREBBPTLR8TLR7DAO
SCHEMBL16555972 0.77 ALDH1A1 (0.45) TLR8TLR7DAOFDPSL3MBTL1
SCHEMBL7100687 0.77 DAO (0.43) BRD4TLR8TLR7DAOFDPS
SCHEMBL24671995 0.77 TP53 (0.43) DAOFDPSCA12CA1CA2
SCHEMBL28186255 0.76 FDPS (0.40) DAOFDPSCA12CA1CA2
SCHEMBL796651 0.76
SCHEMBL45207 0.74 TLR8 (0.44) TLR8TLR7DAOFDPSL3MBTL1
Bromide SCHEMBL556174 0.74 TLR8 (0.44) TLR8TLR7DAOFDPSL3MBTL1
Hydrochloric Acid SCHEMBL6736377 0.74 TLR8 (0.44) TLR8TLR7DAOFDPSL3MBTL1
Hydrochloric Acid SCHEMBL557786 0.74 TLR8 (0.44) TLR8TLR7DAOFDPSL3MBTL1

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-3985005-A1 FUSED RING COMPOUND AS FGFR AND VEGFR DUAL INHIBITOR Medshine Discovery Inc. (CN) 2022-04-20 EP disclosed
WO-2020249096-A1 FUSED RING COMPOUND AS FGFR AND VEGFR DUAL INHIBITOR 南京明德新药研发有限公司 2020-12-17 WO disclosed