SCHEMBL28425382

SCHEMBL28425382

COc1cc2c(Oc3ccc([N+](=O)[O-])cc3)cc(NC(C)(C)C)nc2cc1OC1CCN(C(C)=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDGFRA P16234 3/20 0.44
▸ KDR P35968 2/20 0.44
▸ PDGFRB P09619 2/20 0.41
▸ KIT P10721 1/20 0.41
▸ FLT3 P36888 1/20 0.41
▸ SOS1 Q07889 3/20 0.40
▸ ACHE P22303 1/20 0.39
▸ BACE1 P56817 1/20 0.39
▸ NSD2 O96028 1/20 0.39
▸ GCK P35557 1/20 0.38
▸ MET P08581 1/20 0.38
▸ RAB9A P51151 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ EGFR P00533 1/20 0.37
▸ ERBB2 P04626 1/20 0.37

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
SCHEMBL30646052 0.89 SOS1 (0.44) PDGFRBSOS1NSD2RAB9AMEN1
SCHEMBL28423264 0.85 SOS1 (0.41) SOS1NSD2RAB9AMEN1KMT2A
SCHEMBL29111070 0.85 SOS1 (0.39) PDGFRAPDGFRBSOS1NSD2MET
SCHEMBL29111053 0.83 PDGFRA (0.62) PDGFRAKDRPDGFRBKITSOS1
SCHEMBL30646019 0.83 PDGFRA (0.62) PDGFRAKDRPDGFRBKITSOS1
SCHEMBL30646030 0.79 ACHE (0.51) PDGFRAKDRPDGFRBKITFLT3
SCHEMBL29111054 0.79 ACHE (0.51) PDGFRAKDRPDGFRBKITFLT3
SCHEMBL28425023 0.77 CCNC (0.48) PDGFRAKDRGCKRAB9AEGFR
SCHEMBL29111067 0.77 PDGFRA (0.58) PDGFRAKDRKITMET
SCHEMBL28425273 0.72 CHEK2 (0.39) GCKRAB9AMEN1KMT2A

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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