SCHEMBL31677203

SCHEMBL31677203

Cc1ccc(C(=O)N2CCC3(CCC(CN4CCN(C(=O)OCc5ccccc5)CC4)CC3)CC2)cc1N1CCC(=O)NC1=O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 7/20 0.45
▸ ATXN2 Q99700 6/20 0.45
▸ ACACB O00763 1/20 0.45
▸ SOS1 Q07889 2/20 0.41
▸ TNKS O95271 1/20 0.40
▸ TSHR P16473 2/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CHRM2 P08172 1/20 0.39
▸ CHRM3 P20309 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ FLT3 P36888 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
SCHEMBL31677297 0.93 ENPP2 (0.44) ENPP2ATXN2ACACBSOS1TSHR
SCHEMBL31677226 0.93 ENPP2 (0.45) ENPP2ATXN2ACACBSOS1TSHR
SCHEMBL31677366 0.91 SOS1 (0.48) ENPP2ATXN2ACACBSOS1TSHR
SCHEMBL31677315 0.91 ENPP2 (0.45) ENPP2ATXN2ACACBSOS1CYP2D6
SCHEMBL31677251 0.88 SOS1 (0.44) ENPP2ATXN2ACACBSOS1CYP2D6
SCHEMBL30966192 0.88 TNKS (0.46) SOS1TNKSCHRM2CHRM3ALDH1A1
SCHEMBL30816881 0.84 GABRD (0.42) SOS1TNKS
SCHEMBL30816878 0.84 GABRD (0.42) SOS1TNKS
SCHEMBL30864035 0.82 CHRM2 (0.48) TSHRCYP2D6CHRM2CHRM3ALDH1A1
SCHEMBL30816874 0.81 CYP2D6 (0.51) TSHRCYP2D6CHRM2CHRM3SMN1; SMN2

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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