SCHEMBL26061261

SCHEMBL26061261

NCCCCn1nc(-c2cc3ccc(N=O)cc3[nH]2)c2c(N)ncnc21

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 19/20 0.54
▸ KDR P35968 12/20 0.47
▸ SRC P12931 2/20 0.44
▸ ABL1 P00519 1/20 0.44

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
SCHEMBL30405191 0.86 RET (0.57) RETKDRSRCABL1
SCHEMBL20552974 0.86 RET (0.57) RETKDRSRCABL1
Trifluoroacetic Acid SCHEMBL21528139 0.81 RET (0.54) RETKDRSRCABL1
Trifluoroacetic Acid SCHEMBL29669791 0.81 RET (0.54) RETKDRSRCABL1
SCHEMBL21528193 0.80 RET (0.63) RETKDRSRCABL1
SCHEMBL30404443 0.80 RET (0.63) RETKDRSRCABL1
SCHEMBL21528141 0.80 RET (0.53) RETKDR
Trifluoroacetic Acid SCHEMBL29669754 0.76 RET (0.55) RETKDRSRCABL1
Trifluoroacetic Acid SCHEMBL21528199 0.76 RET (0.55) RETKDRSRCABL1
SCHEMBL20552797 0.76 PIK3CD (0.64) RETKDRSRCABL1

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
EP-4234031-A2 C40-, C28-, AND C-32-LINKED RAPAMYCIN ANALOGS AS MTOR INHIBITORS Revolution Medicines, Inc. (US) 2023-08-30 — — EP disclosed
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