SCHEMBL30786208

SCHEMBL30786208

O=C(NC1CC1)c1cc(F)ccc1Sc1ccc2c(/C=C/c3cccc(CN4CCCC4)n3)nn(C3CCCCO3)c2c1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.38
ACKR3 P25106 1/20 0.34
CCR3 P51677 6/20 0.32
MCHR1 Q99705 4/20 0.32
KCNH2 Q12809 2/20 0.32
LMNA P02545 1/20 0.32
CNR1 P21554 4/20 0.31
CNR2 P34972 4/20 0.31
PRKAA2 P54646 1/20 0.31
TP53 P04637 1/20 0.31
PDE4B Q07343 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
SCHEMBL30786236 0.93 KDR (0.37) KDRLMNACNR1CNR2
SCHEMBL31475235 0.92 KDR (0.46) KDRCNR1CNR2
SCHEMBL30786061 0.89 KDR (0.38) KDRCCR3MCHR1KCNH2CNR1
SCHEMBL31475160 0.88 KDR (0.40) KDRACKR3CCR3MCHR1KCNH2
SCHEMBL30786190 0.85 KDR (0.44) KDRCNR1CNR2
SCHEMBL30786156 0.85 KDR (0.35) KDRCCR3CNR1CNR2
SCHEMBL30786099 0.84 KDR (0.39) KDRMCHR1CNR1CNR2PDE4B
SCHEMBL30786135 0.84 KDR (0.35) KDRCNR1CNR2
SCHEMBL30786134 0.83 KDR (0.38) KDRMCHR1KCNH2CNR1CNR2
SCHEMBL31475173 0.83 HTR2A (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