SCHEMBL30786196

SCHEMBL30786196

CNC(=O)c1ccccc1Sc1ccc2c(/C=C/c3ccc(CN4CCCC4)cn3)nn(C3CCCCO3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 15/20 0.43
FGFR1 P11362 6/20 0.43
TYK2 P29597 5/20 0.43
JAK2 O60674 4/20 0.43
JAK3 P52333 4/20 0.43
FLT1 P17948 3/20 0.43
FLT4 P35916 3/20 0.43
PLK4 O00444 2/20 0.43
AURKA O14965 2/20 0.43
MAP4K4 O95819 2/20 0.43
PAK4 O96013 2/20 0.43
ABL1 P00519 2/20 0.43
LCK P06239 2/20 0.43
CSF1R P07333 2/20 0.43
RET P07949 2/20 0.43
MET P08581 2/20 0.43
PDGFRB P09619 2/20 0.43
KIT P10721 2/20 0.43
PDGFRA P16234 2/20 0.43
FGFR3 P22607 2/20 0.43

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
SCHEMBL31475199 0.92 KDR (0.34) KDRFGFR1TYK2JAK2JAK3
SCHEMBL31475185 0.92 KDR (0.34) KDRFGFR1TYK2JAK2JAK3
SCHEMBL31475205 0.89 KDR (0.46) KDRFGFR1TYK2JAK2JAK3
SCHEMBL13446211 0.87 KDR (0.57) KDRFGFR1TYK2JAK2JAK3
SCHEMBL30585616 0.87 KDR (0.57) KDRFGFR1TYK2JAK2JAK3
SCHEMBL18186761 0.87 KDR (0.57) KDRFGFR1TYK2JAK2JAK3
SCHEMBL30786226 0.85 CHEK1 (0.34) KDRKMT2A
SCHEMBL30786075 0.85 KDR (0.49) KDRFGFR1TYK2JAK2JAK3
SCHEMBL23045074 0.84 KDR (0.58) KDRFGFR1TYK2JAK2JAK3
SCHEMBL30585618 0.84 KDR (0.58) KDRFGFR1TYK2JAK2JAK3

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
CN-119604488-A Protein tyrosine kinase inhibitor and medical application thereof 苏州必扬医药科技有限公司 2025-03-11 CN disclosed
WO-2024032584-A1 PROTEIN TYROSINE KINASE INHIBITOR AND MEDICAL USE THEREOF 苏州必扬医药科技有限公司 2024-02-15 WO disclosed