SCHEMBL31239073

SCHEMBL31239073

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

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 1/20 0.42
▸ AURKB Q96GD4 1/20 0.42
▸ FPR2 P25090 6/20 0.41
▸ MTHFD1 P11586 1/20 0.41
▸ MTHFD2 P13995 1/20 0.41
▸ GART P22102 7/20 0.39
▸ TYMS P04818 3/20 0.39
▸ ATIC P31939 3/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ DHFR P00374 2/20 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
SCHEMBL31239225 0.89 KDR (0.41) KDRAURKBFPR2CDK2
SCHEMBL31239223 0.78 PDPK1 (0.53) KDRAURKBCDK2
SCHEMBL8592144 0.78 PDPK1 (0.53) KDRAURKBCDK2
SCHEMBL17165348 0.73 GDA (0.53) KDRAURKBCDK2
SCHEMBL8594396 0.72 PDPK1 (0.39) KDRAURKBCDK2
SCHEMBL8628643 0.72 PDPK1 (0.45) KDRAURKB
SCHEMBL10361596 0.72 PDPK1 (0.45) KDRAURKBCDK2
SCHEMBL31239135 0.70 SMN1; SMN2 (0.55) CDK2
SCHEMBL3134186 0.70 HDAC1 (0.43) KDRAURKB
SCHEMBL31741254 0.68 ALDH1A1 (0.54) —

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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