SCHEMBL30786236

SCHEMBL30786236

O=C(NC1CC1)c1cc(F)ccc1Sc1ccc2c(/C=C/c3cccc(CCCN4CCCC4)n3)nn(C3CCCCO3)c2c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.37
HTR2A P28223 5/20 0.33
DRD2 P14416 3/20 0.33
HTR1A P08908 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
RAD52 P43351 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
DRD3 P35462 2/20 0.32
DRD4 P21917 1/20 0.31
CNR2 P34972 6/20 0.31
CNR1 P21554 5/20 0.31
BMPR1B O00238 1/20 0.31
BMPR1A P36894 1/20 0.31
TGFBR1 P36897 1/20 0.31
ACVRL1 P37023 1/20 0.31
ACVR1 Q04771 1/20 0.31
LMNA P02545 2/20 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
SCHEMBL30786208 0.93 KDR (0.38) KDRCNR2CNR1LMNA
SCHEMBL30786190 0.93 KDR (0.44) KDRMEN1KMT2ARAD52RXFP1
SCHEMBL30786135 0.90 KDR (0.35) KDRMEN1KMT2ARAD52RXFP1
SCHEMBL30786134 0.88 KDR (0.38) KDRHTR2ADRD2HTR1ADRD3
SCHEMBL30786156 0.86 KDR (0.35) KDRMEN1KMT2ADRD4CNR2
SCHEMBL31475173 0.86 HTR2A (0.35) KDRHTR2ADRD2HTR1AMEN1
SCHEMBL30786099 0.86 KDR (0.39) KDRHTR2ADRD2HTR1ADRD3
SCHEMBL31475235 0.85 KDR (0.46) KDRMEN1KMT2ADRD4CNR2
SCHEMBL30786061 0.84 KDR (0.38) KDRCNR2CNR1
SCHEMBL31475160 0.83 KDR (0.40) KDRHTR2ADRD2HTR1ACNR2

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