SCHEMBL30576121

SCHEMBL30576121

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 1/20 0.52
▸ NPC1 O15118 3/20 0.47
▸ POLB P06746 1/20 0.47
▸ RXRA P19793 1/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ DYRK1A Q13627 5/20 0.47
▸ GSK3B P49841 4/20 0.47
▸ WNT1 P04628 3/20 0.47
▸ HTR1F P30939 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ CLK2 P49760 1/20 0.45
▸ CLK3 P49761 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ KARS1 Q15046 1/20 0.45
▸ GSK3A P49840 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ L3MBTL1 Q9Y468 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
SCHEMBL30576044 0.91 HTR1F (0.57) MAPK14NPC1RXRARAB9ADYRK1A
SCHEMBL30576180 0.91 POLB (0.47) MAPK14NPC1POLBRXRARAB9A
SCHEMBL30576117 0.89 RAF1 (0.48) MAPK14NPC1RXRADYRK1AGSK3B
SCHEMBL30576128 0.89 MAPT (0.55) MAPK14NPC1POLBRAB9ADYRK1A
SCHEMBL30576020 0.87 MAPK14 (0.47) MAPK14NPC1RXRARAB9ADYRK1A
SCHEMBL30576035 0.87 RXRA (0.46) MAPK14NPC1RXRADYRK1AGSK3B
SCHEMBL30576067 0.85 MALT1 (0.49) MAPK14DYRK1AGSK3BWNT1HTR1F
SCHEMBL30576040 0.83 PROKR1 (0.48) MAPK14NPC1POLBRAB9AGSK3B
SCHEMBL30576073 0.81 RAB9A (0.56) MAPK14RXRARAB9ADYRK1AGSK3B
SCHEMBL30576056 0.81 F2 (0.49) MAPK14NPC1RXRARAB9ADYRK1A

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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