SCHEMBL30576020

SCHEMBL30576020

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 1/20 0.47
▸ DYRK1A Q13627 10/20 0.46
▸ WNT1 P04628 8/20 0.46
▸ GSK3B P49841 6/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ LMNA P02545 2/20 0.45
▸ TSHR P16473 1/20 0.45
▸ CLK2 P49760 3/20 0.45
▸ CLK3 P49761 3/20 0.45
▸ RXRA P19793 1/20 0.44
▸ CCNA2 P20248 1/20 0.44
▸ CDK2 P24941 1/20 0.44
▸ CCNA1 P78396 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ 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

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
SCHEMBL30576067 0.91 MALT1 (0.49) MAPK14DYRK1AWNT1GSK3BLMNA
SCHEMBL30576035 0.88 RXRA (0.46) MAPK14DYRK1AWNT1GSK3BNPC1
SCHEMBL30576121 0.87 MAPK14 (0.52) MAPK14DYRK1AWNT1GSK3BNPC1
SCHEMBL30576044 0.85 HTR1F (0.57) MAPK14DYRK1AWNT1GSK3BNPC1
SCHEMBL30576128 0.84 MAPT (0.55) MAPK14DYRK1AGSK3BNPC1RAB9A
SCHEMBL30576117 0.84 RAF1 (0.48) MAPK14DYRK1AWNT1GSK3BNPC1
SCHEMBL30576180 0.79 POLB (0.47) MAPK14DYRK1AWNT1GSK3BNPC1
SCHEMBL30576093 0.78 RXRA (0.46) MAPK14DYRK1AWNT1GSK3BCLK2
SCHEMBL30576073 0.76 RAB9A (0.56) MAPK14DYRK1AGSK3BRAB9ACLK2
SCHEMBL30576056 0.76 F2 (0.49) MAPK14DYRK1AGSK3BNPC1RAB9A

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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