SCHEMBL30786152

SCHEMBL30786152

CCN(CC)Cc1ccc(/C=C/c2nn(C3CCCCO3)c3cc(Sc4c(F)cccc4C(=O)NC4CC4)ccc23)nc1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.35
TTK P33981 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
THRB P10828 1/20 0.31
HTT P42858 1/20 0.31
LMNA P02545 2/20 0.30
MAPT P10636 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
SCHEMBL30786086 0.94 KDR (0.32) KDRTTK
SCHEMBL30786218 0.93 KDR (0.31) KDR
SCHEMBL30786153 0.90 KDR (0.36) KDR
SCHEMBL31475212 0.89 KDR (0.37) KDRTTKCNR1CNR2
SCHEMBL30786216 0.88 KDR (0.37) KDRTTKCNR1CNR2
SCHEMBL31475172 0.84 GPR119 (0.32)
SCHEMBL31475161 0.83 KDR (0.34) KDRTTK
SCHEMBL31475215 0.83 KDR (0.37) KDRTTKCNR1CNR2
SCHEMBL31475194 0.82 KDR (0.34) KDRTTK
SCHEMBL31475207 0.82 KDR (0.36) KDRTTKCNR1CNR2

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