SCHEMBL30576067

SCHEMBL30576067

CC1CCN(c2cc(-c3ccnc(NC(=O)c4ccc(F)c(Cl)c4)c3)ccn2)CC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MALT1 Q9UDY8 3/20 0.49
▸ MAPK14 Q16539 1/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ DYRK1A Q13627 6/20 0.44
▸ WNT1 P04628 4/20 0.44
▸ GSK3B P49841 4/20 0.44
▸ MAOB P27338 1/20 0.44
▸ RAF1 P04049 1/20 0.44
▸ BRAF P15056 1/20 0.44
▸ HTR1F P30939 1/20 0.43
▸ CLK2 P49760 1/20 0.43
▸ CLK3 P49761 1/20 0.43
▸ TAS1R3 Q7RTX0 1/20 0.43
▸ TAS1R1 Q7RTX1 1/20 0.43
▸ TAS1R2 Q8TE23 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ TSHR P16473 1/20 0.43

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
SCHEMBL30576020 0.91 MAPK14 (0.47) MAPK14DYRK1AWNT1GSK3BCLK2
SCHEMBL30576044 0.87 HTR1F (0.57) MAPK14SMN1; SMN2DYRK1AWNT1GSK3B
SCHEMBL30576035 0.87 RXRA (0.46) MAPK14DYRK1AWNT1GSK3BCLK2
SCHEMBL30576121 0.85 MAPK14 (0.52) MAPK14DYRK1AWNT1GSK3BHTR1F
SCHEMBL30576117 0.83 RAF1 (0.48) MAPK14SMN1; SMN2DYRK1AWNT1GSK3B
SCHEMBL30576128 0.81 MAPT (0.55) MAPK14DYRK1AGSK3B
SCHEMBL30576073 0.78 RAB9A (0.56) MAPK14SMN1; SMN2DYRK1AGSK3BHTR1F
SCHEMBL30576093 0.78 RXRA (0.46) MAPK14DYRK1AWNT1GSK3BBRAF
SCHEMBL30576180 0.77 POLB (0.47) MAPK14SMN1; SMN2DYRK1AWNT1GSK3B
SCHEMBL29083757 0.75 RXRA (0.60) MAPK14SMN1; SMN2DYRK1AGSK3BHTR1F

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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