SCHEMBL30864007

SCHEMBL30864007

COc1ccc(C(=O)N2CCC3(CCN(CC4CNC4)CC3)CC2)cc1N1CCC(=O)NC1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SOS1 Q07889 2/20 0.46
▸ CYP2D6 P10635 5/20 0.45
▸ USP2 O75604 3/20 0.45
▸ TSHR P16473 4/20 0.43
▸ MAPK1 P28482 1/20 0.42
▸ CYP3A4 P08684 4/20 0.42
▸ CYP2C9 P11712 3/20 0.42
▸ MLKL Q8NB16 1/20 0.41
▸ CRBN Q96SW2 1/20 0.41
▸ KCNH2 Q12809 5/20 0.40
▸ CCR8 P51685 4/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ TNKS O95271 1/20 0.40
▸ PARP1 P09874 1/20 0.40
▸ PARP10 Q53GL7 1/20 0.40
▸ TNKS2 Q9H2K2 1/20 0.40
▸ NR3C1 P04150 1/20 0.39
▸ PGR P06401 1/20 0.39
▸ SLC6A4 P31645 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
SCHEMBL30863989 0.92 SOS1 (0.42) SOS1CYP2D6USP2TSHRMAPK1
SCHEMBL30816879 0.89 SOS1 (0.50) SOS1CYP2D6USP2TSHRCYP3A4
SCHEMBL30864059 0.86 SOS1 (0.44) SOS1CYP2D6USP2TSHRMAPK1
SCHEMBL31677307 0.86 SOS1 (0.44) SOS1CYP2D6USP2TSHRMAPK1
SCHEMBL31255562 0.86 CYP2D6 (0.46) SOS1CYP2D6USP2TSHRMAPK1
SCHEMBL21408866 0.85 GABRD (0.51) CYP2D6USP2MLKLCRBNKCNH2
SCHEMBL30267496 0.85 GABRD (0.51) CYP2D6USP2MLKLCRBNKCNH2
SCHEMBL25217387 0.85 CYP2D6 (0.45) SOS1CYP2D6USP2TSHRMAPK1
SCHEMBL29387309 0.85 CYP2D6 (0.45) SOS1CYP2D6USP2TSHRMAPK1
SCHEMBL21408934 0.84 KCNH2 (0.44) SOS1CYP2D6USP2TSHRMAPK1

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-4606803-A1 KRAS G12D DEGRADATION AGENT, AND PREPARATION METHOD AND USE THEREFOR Leadingtac Pharmaceutical (Shaoxing) Co., Ltd. (CN) 2025-08-27 — — EP disclosed
CN-117917416-A KRAS G12D degradation agent and preparation method and application thereof 上海领泰生物医药科技有限公司 2024-04-23 — — CN disclosed
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