SCHEMBL30752622

SCHEMBL30752622

Cc1c(C(=O)O)nn2c1CN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 1/20 0.39
▸ NR1H2 P55055 2/20 0.38
▸ ESR2 Q92731 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ F12 P00748 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ GRM5 P41594 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ CKS1B P61024 1/20 0.35
▸ SKP1 P63208 1/20 0.35
▸ SKP2 Q13309 1/20 0.35
▸ GPR119 Q8TDV5 1/20 0.34

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
SCHEMBL25336741 0.92 MEN1 (0.38) ADORA1NR1H2ESR2USP2SMN1; SMN2
SCHEMBL30752642 0.87 NR1H2 (0.47) ADORA1NR1H2ESR2USP2SMN1; SMN2
SCHEMBL30752551 0.86 GPR119 (0.37) NR1H2ESR2USP2SMN1; SMN2F12
SCHEMBL25338426 0.80 NR1H2 (0.43) ADORA1NR1H2ESR2USP2SMN1; SMN2
SCHEMBL30339167 0.80 HTT (0.41) ADORA1NR1H2ESR2USP2SMN1; SMN2
SCHEMBL30793677 0.80 MEN1 (0.38) ADORA1NR1H2ESR2USP2SMN1; SMN2
SCHEMBL25337124 0.79 KMT2A (0.36) NR1H2ESR2USP2SMN1; SMN2LMNA
SCHEMBL24535150 0.79 GPR119 (0.36) NR1H2ESR2USP2SMN1; SMN2F12
SCHEMBL25335687 0.79 MEN1 (0.43) ADORA1NR1H2ESR2USP2SMN1; SMN2
SCHEMBL30793460 0.79 MEN1 (0.38) ADORA1NR1H2ESR2USP2SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4565579-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF KRAS Theras, Inc. (US) 2025-06-11 — — EP disclosed
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