SCHEMBL30576086

SCHEMBL30576086

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 1/20 0.49
▸ MAPK14 Q16539 1/20 0.49
▸ TSHR P16473 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ NR3C2 P08235 1/20 0.46
▸ MAPK10 P53779 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ MAPT P10636 2/20 0.45
▸ MCHR1 Q99705 2/20 0.45
▸ MAPK1 P28482 1/20 0.43
▸ RXRA P19793 1/20 0.43
▸ ALPL P05186 1/20 0.43
▸ ITGB2 P05107 1/20 0.43
▸ ICAM1 P05362 1/20 0.43
▸ ITGAL P20701 1/20 0.43
▸ WNT3A P56704 1/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ RIOK2 Q9BVS4 1/20 0.42

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
SCHEMBL30576079 0.91 MAPK10 (0.58) ALDH1A1MAPK10SMN1; SMN2L3MBTL1WNT3A
SCHEMBL30576056 0.84 F2 (0.49) GSK3BMAPK14ALDH1A1MAPTRXRA
SCHEMBL30576088 0.82 CCNE2 (0.47) MAPK14ITGB2ICAM1ITGAL
SCHEMBL30367158 0.78 RXRA (0.66) GSK3BMAPK14TSHRALDH1A1MAPK10
SCHEMBL30576138 0.77 NPC1 (0.51) MAPK14SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL30576069 0.76 NPC1 (0.57) GSK3BALDH1A1SMN1; SMN2MAPTRXRA
SCHEMBL30576128 0.76 MAPT (0.55) GSK3BMAPK14ALDH1A1MAPTKMT2A
SCHEMBL29083767 0.76 RXRA (0.58) GSK3BMAPK14ALDH1A1MAPTRXRA
SCHEMBL30576104 0.75 DYRK1A (0.54) GSK3BMAPK14ALDH1A1NR3C2MAPT
SCHEMBL29083759 0.74 TSHR (0.69) GSK3BMAPK14TSHRALDH1A1NR3C2

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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