SCHEMBL30576126

SCHEMBL30576126

O=C(Nc1cc(-c2ccnc(N3CCC(O)CC3)c2)ccn1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.48
▸ RAF1 P04049 6/20 0.47
▸ BRAF P15056 6/20 0.47
▸ ITGB2 P05107 3/20 0.46
▸ ICAM1 P05362 3/20 0.46
▸ ITGAL P20701 3/20 0.46
▸ BTK Q06187 3/20 0.46
▸ RXRA P19793 1/20 0.45
▸ MAPKAPK2 P49137 1/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ STAT3 P40763 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ HTR1F P30939 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
SCHEMBL30576117 0.91 RAF1 (0.48) MAPTRAF1BRAFBTKRXRA
SCHEMBL30576073 0.89 RAB9A (0.56) MAPTRXRASMN1; SMN2ALDH1A1RAB9A
SCHEMBL30576180 0.88 POLB (0.47) RXRASMN1; SMN2ALDH1A1RAB9AHTR1F
SCHEMBL30576056 0.84 F2 (0.49) MAPTITGB2ICAM1ITGALRXRA
SCHEMBL30576093 0.83 RXRA (0.46) MAPTBRAFRXRA
SCHEMBL30576069 0.83 NPC1 (0.57) MAPTRXRASMN1; SMN2ALDH1A1RAB9A
SCHEMBL30576091 0.80 BRAF (0.53) BRAFRXRARAB9AHTR1F
SCHEMBL30576044 0.80 HTR1F (0.57) RXRASMN1; SMN2ALDH1A1RAB9AHTR1F
SCHEMBL30576121 0.80 MAPK14 (0.52) MAPTRXRARAB9AHTR1F
SCHEMBL29083757 0.78 RXRA (0.60) ITGB2ICAM1ITGALRXRAMAPKAPK2

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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