SCHEMBL31677366

SCHEMBL31677366

COc1ccc(C(=O)N2CCC3(CCC(CN4CCN(C(=O)OCc5ccccc5)CC4)CC3)CC2)cc1N1CCC(=O)NC1=O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SOS1 Q07889 2/20 0.48
▸ ENPP2 Q13822 6/20 0.44
▸ ATXN2 Q99700 5/20 0.44
▸ ALDH1A1 P00352 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ CYP2D6 P10635 3/20 0.41
▸ TSHR P16473 1/20 0.41
▸ ACACB O00763 1/20 0.41
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ MLKL Q8NB16 1/20 0.39
▸ CRBN Q96SW2 1/20 0.39
▸ CCR8 P51685 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ USP2 O75604 1/20 0.38

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
SCHEMBL31677203 0.91 ENPP2 (0.45) SOS1ENPP2ATXN2ALDH1A1CYP2D6
SCHEMBL31677226 0.91 ENPP2 (0.45) SOS1ENPP2ATXN2ALDH1A1CYP2D6
SCHEMBL31677251 0.91 SOS1 (0.44) SOS1ENPP2ATXN2CYP2D6ACACB
SCHEMBL31677315 0.90 ENPP2 (0.45) SOS1ENPP2ATXN2CYP2D6ACACB
SCHEMBL30984835 0.87 SOS1 (0.51) SOS1ALDH1A1CYP2D6POLBCYP2C19
SCHEMBL30816879 0.85 SOS1 (0.50) SOS1CYP2D6TSHRMLKLCRBN
SCHEMBL31677297 0.84 ENPP2 (0.44) SOS1ENPP2ATXN2ALDH1A1CYP2D6
SCHEMBL27117256 0.84 SOS1 (0.56) SOS1ALDH1A1CYP2D6TSHRMEN1
SCHEMBL30864007 0.81 SOS1 (0.46) SOS1CYP2D6TSHRMLKLCRBN
SCHEMBL30864035 0.81 CHRM2 (0.48) ALDH1A1CYP2D6TSHRMEN1KMT2A

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
EP-4631942-A1 PAN-KRAS DEGRADING AGENT, AND PREPARATION METHOD THEREFOR AND USE THEREOF Leadingtac Pharmaceutical (Shaoxing) Co., Ltd. (CN) 2025-10-15 — — EP disclosed
EP-4606803-A1 KRAS G12D DEGRADATION AGENT, AND PREPARATION METHOD AND USE THEREFOR Leadingtac Pharmaceutical (Shaoxing) Co., Ltd. (CN) 2025-08-27 — — EP disclosed
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