SCHEMBL30646052

SCHEMBL30646052

COc1cc2c(Oc3ccc(N)cc3)cc(NC(C)(C)C)nc2cc1OC1CCN(C(C)=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SOS1 Q07889 3/20 0.44
▸ NSD2 O96028 2/20 0.43
▸ PDGFRB P09619 1/20 0.42
▸ EGFR P00533 4/20 0.41
▸ ERBB2 P04626 3/20 0.41
▸ EHMT2 Q96KQ7 1/20 0.39
▸ TRPC6 Q9Y210 1/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL29111070 0.89 SOS1 (0.39) SOS1NSD2PDGFRBEGFRERBB2
SCHEMBL28423264 0.89 SOS1 (0.41) SOS1NSD2RAB9AMEN1KMT2A
SCHEMBL28425382 0.89 PDGFRA (0.44) SOS1NSD2PDGFRBEGFRERBB2
SCHEMBL30646048 0.82 PDGFRA (0.50) SOS1PDGFRB
SCHEMBL28428914 0.74 PDGFRA (0.49) SOS1PDGFRB
SCHEMBL28423297 0.72 PDGFRA (0.52) —
SCHEMBL30646064 0.72 PDGFRA (0.52) —
SCHEMBL28420947 0.72 KDR (0.51) SOS1PDGFRBEGFRERBB2
SCHEMBL28427821 0.71 MET (0.48) SOS1PDGFRB
SCHEMBL30646019 0.71 PDGFRA (0.62) SOS1PDGFRB

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
Send feedback