SCHEMBL30576180

SCHEMBL30576180

Cc1ccc(C(=O)Nc2cc(-c3ccnc(N4CCC(O)CC4)c3)ccn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.47
▸ RXRA P19793 1/20 0.47
▸ RAB9A P51151 5/20 0.47
▸ NPC1 O15118 3/20 0.47
▸ DYRK1A Q13627 6/20 0.47
▸ GSK3B P49841 6/20 0.47
▸ WNT1 P04628 4/20 0.47
▸ HTR1F P30939 1/20 0.46
▸ CLK2 P49760 1/20 0.45
▸ CLK3 P49761 1/20 0.45
▸ MAPK13 O15264 1/20 0.45
▸ MAPK12 P53778 1/20 0.45
▸ MAPK11 Q15759 1/20 0.45
▸ MAPK14 Q16539 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ KARS1 Q15046 1/20 0.45
▸ GSK3A P49840 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ ALDH1A1 P00352 1/20 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
SCHEMBL30576121 0.91 MAPK14 (0.52) POLBRXRARAB9ANPC1DYRK1A
SCHEMBL30576073 0.90 RAB9A (0.56) RXRARAB9ADYRK1AGSK3BHTR1F
SCHEMBL30576091 0.89 BRAF (0.53) RXRARAB9ANPC1DYRK1AGSK3B
SCHEMBL30576056 0.89 F2 (0.49) RXRARAB9ANPC1DYRK1AGSK3B
SCHEMBL30576126 0.88 MAPT (0.48) RXRARAB9AHTR1FSMN1; SMN2ALDH1A1
SCHEMBL30576069 0.88 NPC1 (0.57) POLBRXRARAB9ANPC1DYRK1A
SCHEMBL30576040 0.87 PROKR1 (0.48) POLBRAB9ANPC1GSK3BHTR1F
SCHEMBL30576247 0.87 DYRK1A (0.47) RAB9ADYRK1AGSK3BWNT1CLK2
SCHEMBL30576093 0.86 RXRA (0.46) RXRADYRK1AGSK3BWNT1CLK2
SCHEMBL30576030 0.84 RXRA (0.49) RXRARAB9ANPC1GSK3BHTR1F

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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