SCHEMBL31239225

SCHEMBL31239225

Nc1nc(CC(=O)N[C@@H](CC(=O)O)C(=O)O)nc2nc[nH]c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 1/20 0.41
▸ AURKB Q96GD4 1/20 0.41
▸ CDK2 P24941 1/20 0.40
▸ PDPK1 O15530 1/20 0.40
▸ GDA Q9Y2T3 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ENPP1 P22413 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA4 P22748 1/20 0.35
▸ POLA1 P09884 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ FPR2 P25090 1/20 0.34
▸ CASP3 P42574 1/20 0.34
▸ MGMT P16455 1/20 0.34
▸ HDAC1 Q13547 2/20 0.34
▸ HDAC2 Q92769 2/20 0.34
▸ TMPRSS15 P98073 1/20 0.33

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
SCHEMBL31239073 0.89 KDR (0.42) KDRAURKBCDK2FPR2
SCHEMBL8592144 0.80 PDPK1 (0.53) KDRAURKBCDK2PDPK1GDA
SCHEMBL31239223 0.80 PDPK1 (0.53) KDRAURKBCDK2PDPK1GDA
SCHEMBL17165348 0.75 GDA (0.53) KDRAURKBCDK2PDPK1GDA
SCHEMBL3134186 0.71 HDAC1 (0.43) KDRAURKBPDPK1GDAENPP1
Pala SCHEMBL6516922 0.71 CA2 (0.50) CDK2SMN1; SMN2MEN1KMT2ACA2
SCHEMBL8628643 0.71 PDPK1 (0.45) KDRAURKBPDPK1GDACYP1A2
SCHEMBL8594396 0.70 PDPK1 (0.39) KDRAURKBCDK2PDPK1GDA
SCHEMBL10361596 0.69 PDPK1 (0.45) KDRAURKBCDK2PDPK1GDA
SCHEMBL9176120 0.68 PDPK1 (0.59) KDRAURKBCDK2PDPK1GDA

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
CN-119039583-B Side-chain base biodegradable polyester amide with stereocomplex crystallization performance and enzymatic preparation method thereof 浙江农林大学 2025-03-11 — — CN disclosed
CN-119039583-A Side-chain base biodegradable polyester amide with stereocomplex crystallization performance and enzymatic preparation method thereof 浙江农林大学 2024-11-29 — — CN disclosed
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