SCHEMBL28430848

SCHEMBL28430848

COC(=O)Cc1ccc(Oc2ccnc3cc(OC4CCNCC4)c(OC)cc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 8/20 0.52
▸ FLT3 P36888 4/20 0.52
▸ CSF1R P07333 3/20 0.52
▸ PDGFRB P09619 3/20 0.52
▸ PDGFRA P16234 11/20 0.52
▸ KIT P10721 6/20 0.51
▸ FLT4 P35916 2/20 0.51
▸ MET P08581 5/20 0.51
▸ AURKB Q96GD4 3/20 0.51
▸ RET P07949 2/20 0.49
▸ DDR1 Q08345 2/20 0.49
▸ AURKA O14965 2/20 0.49
▸ LCK P06239 2/20 0.49
▸ TEK Q02763 2/20 0.49
▸ RIPK2 O43353 1/20 0.49
▸ ABCB11 O95342 1/20 0.49
▸ ABL1 P00519 1/20 0.49
▸ EGFR P00533 1/20 0.49
▸ ERBB2 P04626 1/20 0.49
▸ NTRK1 P04629 1/20 0.49

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
SCHEMBL28420947 0.88 KDR (0.51) KDRFLT3CSF1RPDGFRBPDGFRA
SCHEMBL28428906 0.84 PDE4A (0.49) KDRFLT3CSF1RPDGFRBPDGFRA
SCHEMBL30646026 0.81 PDGFRA (0.62) KDRPDGFRBPDGFRAKITMET
SCHEMBL29111060 0.81 PDGFRA (0.62) KDRPDGFRBPDGFRAKITMET
SCHEMBL28428907 0.80 PDGFRA (0.55) KDRFLT3CSF1RPDGFRBPDGFRA
SCHEMBL28893679 0.79 MET (0.64) KDRFLT3CSF1RPDGFRBPDGFRA
SCHEMBL28426786 0.79 SRC (0.57) KDRPDGFRAKITMETAURKB
Hydrochloric Acid SCHEMBL23359655 0.79 KRAS (0.55) PDGFRBPDGFRAKITFGFR2
SCHEMBL2172904 0.78 PDGFRA (0.64) KDRFLT3CSF1RPDGFRBPDGFRA
SCHEMBL19957113 0.78 KDR (0.63) KDRFLT3CSF1RPDGFRBPDGFRA

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-111253385-B Heterocyclic compound, preparation method and application 遵义医科大学珠海校区 2023-11-24 — — CN disclosed
CN-111253385-A Heterocyclic compound, preparation method and application 遵义医科大学珠海校区 2020-06-09 — — CN disclosed
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