SCHEMBL30786173

SCHEMBL30786173

CC(C)(C)OC(=O)n1nc(/C=C/c2ccc(OCCN3CCCC3)cn2)c2ccc(Sc3ccccc3C(=O)NC3CC3)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.44
FGFR1 P11362 5/20 0.35
BMPR1B O00238 3/20 0.35
HTR7 P34969 2/20 0.35
BMPR1A P36894 2/20 0.35
TGFBR1 P36897 2/20 0.35
ACVRL1 P37023 2/20 0.35
ACVR1 Q04771 2/20 0.35
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
HTR6 P50406 1/20 0.35
PLK4 O00444 2/20 0.34
AURKA O14965 2/20 0.34
MAP4K4 O95819 2/20 0.34
PAK4 O96013 2/20 0.34
ABL1 P00519 2/20 0.34
LCK P06239 2/20 0.34
CSF1R P07333 2/20 0.34
RET P07949 2/20 0.34
MET P08581 2/20 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
SCHEMBL30786229 0.99 KDR (0.44) KDRFGFR1BMPR1BHTR7BMPR1A
SCHEMBL30786112 0.91 KDR (0.44) KDRFGFR1BMPR1BDRD2PLK4
SCHEMBL30786084 0.90 KDR (0.44) KDRFGFR1BMPR1BBMPR1ATGFBR1
SCHEMBL31475192 0.90 KDR (0.45) KDRFGFR1BMPR1BPLK4AURKA
SCHEMBL31475200 0.90 KDR (0.46) KDRFGFR1BMPR1BPLK4AURKA
SCHEMBL30786182 0.85 KDR (0.41) KDRFGFR1BMPR1BPLK4AURKA
SCHEMBL31475183 0.85 KDR (0.46) KDRFGFR1BMPR1BPLK4AURKA
SCHEMBL31475317 0.85 KDR (0.47) KDRFGFR1BMPR1BPLK4AURKA
SCHEMBL31475189 0.84 KDR (0.46) KDRFGFR1BMPR1BPLK4AURKA
SCHEMBL30786074 0.82 KDR (0.45) KDRFGFR1BMPR1BPLK4AURKA

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
WO-2025082316-A1 OPHTHALMIC FORMATION, AND PREPARATION METHOD THEREFOR AND USE THEREOF 苏州必扬医药科技有限公司 2025-04-24 WO disclosed
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