SCHEMBL30646019

SCHEMBL30646019

COc1cc2c(Oc3ccc([N+](=O)[O-])cc3)ccnc2cc1OC1CCN(C(C)=O)CC1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PDGFRA P16234 11/20 0.62
▸ KDR P35968 8/20 0.62
▸ MET P08581 5/20 0.51
▸ MST1R Q04912 3/20 0.48
▸ KIT P10721 1/20 0.47
▸ SRC P12931 1/20 0.46
▸ AXL P30530 1/20 0.46
▸ KRAS P01116 1/20 0.46
▸ SOS1 Q07889 1/20 0.46
▸ FGFR2 P21802 1/20 0.46
▸ PDGFRB P09619 1/20 0.45

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
SCHEMBL29111053 1.00 PDGFRA (0.62) PDGFRAKDRMETMST1RKIT
SCHEMBL29111067 0.89 PDGFRA (0.58) PDGFRAKDRMETMST1RKIT
SCHEMBL30646048 0.88 PDGFRA (0.50) PDGFRAKDRMETMST1RKIT
SCHEMBL30646030 0.87 ACHE (0.51) PDGFRAKDRKITPDGFRB
SCHEMBL29111054 0.87 ACHE (0.51) PDGFRAKDRKITPDGFRB
SCHEMBL28428914 0.86 PDGFRA (0.49) PDGFRAKDRMETMST1RKIT
SCHEMBL28427821 0.86 MET (0.48) PDGFRAKDRMETMST1RKIT
SCHEMBL30646026 0.85 PDGFRA (0.62) PDGFRAKDRMETKITKRAS
SCHEMBL29111060 0.85 PDGFRA (0.62) PDGFRAKDRMETKITKRAS
SCHEMBL28420947 0.84 KDR (0.51) PDGFRAKDRMETMST1RKIT

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 1 patent. 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
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