SCHEMBL30576093

SCHEMBL30576093

O=C(Nc1cc(-c2ccnc(N3CCC(O)CC3)c2)ccn1)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.46
▸ DYRK1A Q13627 8/20 0.44
▸ GSK3B P49841 7/20 0.44
▸ WNT1 P04628 6/20 0.44
▸ F10 P00742 2/20 0.43
▸ CLK2 P49760 2/20 0.43
▸ CLK3 P49761 2/20 0.43
▸ MAPT P10636 2/20 0.42
▸ GSK3A P49840 1/20 0.42
▸ BRAF P15056 1/20 0.41
▸ EGFR P00533 1/20 0.41
▸ CNR1 P21554 1/20 0.41
▸ MAPK13 O15264 1/20 0.41
▸ MAPK12 P53778 1/20 0.41
▸ MAPK11 Q15759 1/20 0.41
▸ MAPK14 Q16539 1/20 0.41
▸ PIP5K1C O60331 1/20 0.40
▸ PIK3CA P42336 1/20 0.40

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
SCHEMBL30576035 0.90 RXRA (0.46) RXRADYRK1AGSK3BWNT1CLK2
SCHEMBL30576180 0.86 POLB (0.47) RXRADYRK1AGSK3BWNT1CLK2
SCHEMBL30576073 0.85 RAB9A (0.56) RXRADYRK1AGSK3BCLK2CLK3
SCHEMBL30576102 0.83 RXRA (0.49) RXRAGSK3BEGFR
SCHEMBL30576126 0.83 MAPT (0.48) RXRAMAPTBRAF
SCHEMBL30576064 0.83 ITGB2 (0.49) GSK3BGSK3ABRAF
SCHEMBL30576056 0.82 F2 (0.49) RXRADYRK1AGSK3BMAPTGSK3A
SCHEMBL30576091 0.82 BRAF (0.53) RXRADYRK1AGSK3BWNT1BRAF
SCHEMBL30576069 0.81 NPC1 (0.57) RXRADYRK1AGSK3BWNT1MAPT
SCHEMBL30576138 0.80 NPC1 (0.51) DYRK1AMAPTMAPK14

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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