SCHEMBL30786226

SCHEMBL30786226

CCNC(=O)c1cc(F)ccc1Sc1ccc2c(/C=C/c3ccc(CN4CCCC4)cn3)nn(C3CCCCO3)c2c1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.34
KDR P35968 2/20 0.34
DRD2 P14416 3/20 0.33
HTR2A P28223 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HSP90AA1 P07900 2/20 0.32
HSP90AB1 P08238 2/20 0.32
KCNH2 Q12809 2/20 0.32
MCHR1 Q99705 2/20 0.32
HTR1A P08908 1/20 0.32
MAPT P10636 1/20 0.31

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 0.94 KDR (0.34) KDRDRD2HTR2AMEN1KMT2A
SCHEMBL30786061 0.92 KDR (0.38) KDRKCNH2MCHR1
SCHEMBL30786214 0.90 KDR (0.34) KDRDRD2HTR2A
SCHEMBL31475185 0.89 KDR (0.34) KDRDRD2HTR2AMEN1KMT2A
SCHEMBL31475210 0.87 DRD2 (0.37) KDRDRD2HTR2AHTR1A
SCHEMBL30786196 0.85 KDR (0.43) KDRKMT2A
SCHEMBL31475194 0.85 KDR (0.34) KDR
SCHEMBL31475160 0.84 KDR (0.40) KDRDRD2HTR2AKCNH2MCHR1
SCHEMBL30786216 0.83 KDR (0.37) KDR
SCHEMBL31475207 0.82 KDR (0.36) KDR

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