SCHEMBL30786190

SCHEMBL30786190

O=C(NC1CC1)c1ccccc1Sc1ccc2c(/C=C/c3cccc(CCCN4CCCC4)n3)nn(C3CCCCO3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.44
DRD4 P21917 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CNR1 P21554 5/20 0.34
CNR2 P34972 5/20 0.34
RAD52 P43351 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
FGFR1 P11362 4/20 0.33
PLK4 O00444 2/20 0.33
AURKA O14965 2/20 0.33
MAP4K4 O95819 2/20 0.33
PAK4 O96013 2/20 0.33
ABL1 P00519 2/20 0.33
LCK P06239 2/20 0.33
CSF1R P07333 2/20 0.33
RET P07949 2/20 0.33
MET P08581 2/20 0.33
PDGFRB P09619 2/20 0.33
KIT P10721 2/20 0.33

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
SCHEMBL30786236 0.93 KDR (0.37) KDRDRD4MEN1KMT2ACNR1
SCHEMBL31475235 0.92 KDR (0.46) KDRDRD4MEN1KMT2ACNR1
SCHEMBL30786135 0.91 KDR (0.35) KDRDRD4MEN1KMT2ACNR1
SCHEMBL30786076 0.88 KDR (0.47) KDRDRD4MEN1KMT2ACNR1
SCHEMBL30786156 0.87 KDR (0.35) KDRDRD4MEN1KMT2ACNR1
SCHEMBL31475279 0.86 KDR (0.48) KDRDRD4MEN1KMT2ACNR1
SCHEMBL30786208 0.85 KDR (0.38) KDRCNR1CNR2
SCHEMBL30786075 0.83 KDR (0.49) KDRDRD4FGFR1PLK4AURKA
SCHEMBL30786232 0.82 KDR (0.66) KDRDRD4FGFR1PLK4AURKA
SCHEMBL30786134 0.81 KDR (0.38) KDRCNR1CNR2BMPR1B

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