SCHEMBL30576035

SCHEMBL30576035

CC1CCN(c2cc(-c3ccnc(NC(=O)c4cc(Cl)cc(Cl)c4)c3)ccn2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.46
▸ DYRK1A Q13627 11/20 0.45
▸ WNT1 P04628 8/20 0.45
▸ GSK3B P49841 6/20 0.45
▸ MAPK14 Q16539 1/20 0.45
▸ CLK2 P49760 3/20 0.44
▸ CLK3 P49761 3/20 0.44
▸ LMNA P02545 2/20 0.42
▸ PIP5K1C O60331 2/20 0.42
▸ PIK3CA P42336 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ DYRK3 O43781 1/20 0.42
▸ CSNK1E P49674 1/20 0.42
▸ CLK1 P49759 1/20 0.42
▸ CDK5 Q00535 1/20 0.42
▸ CDK5R1 Q15078 1/20 0.42
▸ DYRK2 Q92630 1/20 0.42
▸ CLK4 Q9HAZ1 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
SCHEMBL30576093 0.90 RXRA (0.46) RXRADYRK1AWNT1GSK3BMAPK14
SCHEMBL30576020 0.88 MAPK14 (0.47) RXRADYRK1AWNT1GSK3BMAPK14
SCHEMBL30576067 0.87 MALT1 (0.49) DYRK1AWNT1GSK3BMAPK14CLK2
SCHEMBL30576121 0.87 MAPK14 (0.52) RXRADYRK1AWNT1GSK3BMAPK14
SCHEMBL30576044 0.85 HTR1F (0.57) RXRADYRK1AWNT1GSK3BMAPK14
SCHEMBL30576117 0.83 RAF1 (0.48) RXRADYRK1AWNT1GSK3BMAPK14
SCHEMBL30576128 0.83 MAPT (0.55) DYRK1AGSK3BMAPK14PIP5K1CMAPT
SCHEMBL30576180 0.78 POLB (0.47) RXRADYRK1AWNT1GSK3BMAPK14
SCHEMBL30576073 0.75 RAB9A (0.56) RXRADYRK1AGSK3BMAPK14CLK2
SCHEMBL30576091 0.75 BRAF (0.53) RXRADYRK1AWNT1GSK3BMAPK14

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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