SCHEMBL27117256

SCHEMBL27117256

COc1ccc(C(=O)N2CCC3(CCC(CN4CCN(C(=O)C5CCCCC5)CC4)CC3)CC2)cc1N1CCC(=O)NC1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SOS1 Q07889 2/20 0.56
▸ HTR1A P08908 1/20 0.42
▸ ADRA1D P25100 1/20 0.42
▸ ADRA1A P35348 1/20 0.42
▸ ADRA1B P35368 1/20 0.42
▸ MLKL Q8NB16 1/20 0.39
▸ CRBN Q96SW2 1/20 0.39
▸ NR3C1 P04150 1/20 0.38
▸ PGR P06401 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ PDE3B Q13370 1/20 0.38
▸ PDE3A Q14432 1/20 0.38
▸ BRD9 Q9H8M2 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ JAK2 O60674 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
SCHEMBL27117357 0.89 SOS1 (0.47) SOS1KMT2ATNKSFFAR4
SCHEMBL27116892 0.89 SOS1 (0.46) SOS1KMT2AMEN1ALDH1A1TNKS
SCHEMBL30816879 0.88 SOS1 (0.50) SOS1MLKLCRBNNR3C1PGR
SCHEMBL30984835 0.87 SOS1 (0.51) SOS1MLKLCRBNNR3C1PGR
SCHEMBL27117315 0.85 KMT2A (0.44) SOS1KMT2AALDH1A1TNKS
SCHEMBL31677366 0.84 SOS1 (0.48) SOS1MLKLCRBNKCNH2KMT2A
SCHEMBL27117280 0.84 PARP1 (0.42) SOS1CRBNKMT2AALDH1A1TSHR
SCHEMBL30864007 0.83 SOS1 (0.46) SOS1MLKLCRBNNR3C1PGR
SCHEMBL27116956 0.83 SOS1 (0.42) SOS1KMT2AMEN1ALDH1A1
SCHEMBL23134537 0.82 SOS1 (0.45) SOS1NR3C1PGRSLC6A4KCNH2

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-4328219-A1 SOS1 DEGRADING AGENT AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shanghai Leadingtac Pharmaceutical Co. Ltd. (CN) 2024-02-28 — — EP disclosed
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