SCHEMBL29083767

SCHEMBL29083767

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.58
▸ ITGB2 P05107 1/20 0.48
▸ ICAM1 P05362 1/20 0.48
▸ ITGAL P20701 1/20 0.48
▸ F2 P00734 1/20 0.47
▸ GSK3A P49840 1/20 0.47
▸ GSK3B P49841 1/20 0.47
▸ F10 P00742 1/20 0.46
▸ MAPK14 Q16539 3/20 0.46
▸ DYRK1A Q13627 1/20 0.46
▸ RIPK3 Q9Y572 1/20 0.45
▸ MAPK13 O15264 1/20 0.45
▸ MAPK12 P53778 1/20 0.45
▸ MAPK11 Q15759 1/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ TP53 P04637 2/20 0.44
▸ MAPT P10636 2/20 0.44

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
SCHEMBL30576056 0.89 F2 (0.49) RXRAITGB2ICAM1ITGALF2
SCHEMBL30576128 0.89 MAPT (0.55) F2GSK3AGSK3BMAPK14DYRK1A
SCHEMBL30576045 0.89 RXRA (0.46) RXRAF2GSK3AGSK3BMAPK14
SCHEMBL30576104 0.88 DYRK1A (0.54) F2GSK3AGSK3BMAPK14DYRK1A
SCHEMBL30576058 0.88 RXRA (0.46) RXRAF2GSK3AGSK3BF10
SCHEMBL29083757 0.87 RXRA (0.60) RXRAITGB2ICAM1ITGALGSK3A
SCHEMBL30576105 0.85 DYRK1A (0.60) F2GSK3BF10MAPK14DYRK1A
SCHEMBL30576175 0.84 CHRM1 (0.55) F2GSK3BMAPK14DYRK1AMAPK13
SCHEMBL30576143 0.82 DYRK1A (0.54) F2GSK3BMAPK14DYRK1AMAPK13
SCHEMBL30576069 0.82 NPC1 (0.57) RXRAGSK3BDYRK1ANPC1RAB9A

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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