SCHEMBL30576079

SCHEMBL30576079

COc1ccc(CC(=O)Nc2cc(-c3ccnc(N4CCC(O)CC4)c3)ccn2)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPK10 P53779 2/20 0.58
▸ ALDH1A1 P00352 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ RIOK2 Q9BVS4 3/20 0.53
▸ WNT3A P56704 4/20 0.52
▸ CDK5 Q00535 7/20 0.51
▸ CDK5R1 Q15078 6/20 0.51
▸ MAPK8 P45983 1/20 0.49
▸ CACNA1H O95180 1/20 0.48
▸ GSK3A P49840 1/20 0.48
▸ CDK2 P24941 1/20 0.47
▸ CDK9 P50750 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.46

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
SCHEMBL30576086 0.91 GSK3B (0.49) MAPK10ALDH1A1SMN1; SMN2L3MBTL1RIOK2
SCHEMBL30576056 0.85 F2 (0.49) ALDH1A1GSK3ACDK2KDM4E
SCHEMBL30576088 0.84 CCNE2 (0.47) CDK2
SCHEMBL30366861 0.82 MAPT (0.58) MAPK10SMN1; SMN2RIOK2WNT3AGSK3A
SCHEMBL30366865 0.81 RXRA (0.56) MAPK10RIOK2GSK3ACDK2
SCHEMBL30576138 0.79 NPC1 (0.51) SMN1; SMN2CDK2
SCHEMBL30576069 0.78 NPC1 (0.57) ALDH1A1SMN1; SMN2
SCHEMBL30576128 0.77 MAPT (0.55) ALDH1A1GSK3ACDK2KDM4E
SCHEMBL29083767 0.77 RXRA (0.58) ALDH1A1GSK3ACDK2KDM4E
SCHEMBL30576104 0.77 DYRK1A (0.54) ALDH1A1GSK3ACDK2KDM4E

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-116836153-B CDK9-Cyclin T1 protein interaction inhibitor and application thereof 厦门大学 2026-05-19 — — CN disclosed
CN-116836153-A CDK9-Cyclin T1 protein interaction inhibitor and application thereof 厦门大学 2023-10-03 — — CN disclosed
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