SCHEMBL30786156

SCHEMBL30786156

O=C(NC1CC1)c1cccc(F)c1Sc1ccc2c(/C=C/c3cccc(CCN4CCCC4)n3)nn(C3CCCCO3)c2c1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.35
CNR1 P21554 6/20 0.32
CNR2 P34972 6/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
POLB P06746 1/20 0.32
DRD4 P21917 1/20 0.32
CCR3 P51677 1/20 0.30

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
SCHEMBL30786135 0.96 KDR (0.35) KDRCNR1CNR2MEN1KMT2A
SCHEMBL30786128 0.92 CNR1 (0.31) CNR1CNR2
SCHEMBL30786190 0.87 KDR (0.44) KDRCNR1CNR2MEN1KMT2A
SCHEMBL30786153 0.87 KDR (0.36) KDRKMT2ADRD4CCR3
SCHEMBL30786078 0.87 KDR (0.36) KDRCNR1CNR2DRD4
SCHEMBL30786236 0.86 KDR (0.37) KDRCNR1CNR2MEN1KMT2A
SCHEMBL31475235 0.86 KDR (0.46) KDRCNR1CNR2MEN1KMT2A
SCHEMBL30786208 0.85 KDR (0.38) KDRCNR1CNR2CCR3
SCHEMBL31576781 0.83 KDR (0.54) KDR
SCHEMBL30786152 0.81 KDR (0.35) KDRCNR1CNR2

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