SCHEMBL30576056

SCHEMBL30576056

COc1ccc(C(=O)Nc2cc(-c3ccnc(N4CCC(O)CC4)c3)ccn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.49
▸ DYRK1A Q13627 1/20 0.47
▸ MAPK14 Q16539 2/20 0.47
▸ PIP5K1C O60331 1/20 0.47
▸ MAPK13 O15264 1/20 0.47
▸ MAPK12 P53778 1/20 0.47
▸ MAPK11 Q15759 1/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ TP53 P04637 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ MITF O75030 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ XBP1 P17861 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ OPRD1 P41143 1/20 0.47

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
SCHEMBL30576128 0.92 MAPT (0.55) F2DYRK1AMAPK14PIP5K1CMAPK13
SCHEMBL30576104 0.91 DYRK1A (0.54) F2DYRK1AMAPK14PIP5K1CMAPK13
SCHEMBL30576069 0.90 NPC1 (0.57) DYRK1ANPC1RAB9AMEN1KMT2A
SCHEMBL30576180 0.89 POLB (0.47) DYRK1AMAPK14MAPK13MAPK12MAPK11
SCHEMBL29083767 0.89 RXRA (0.58) F2DYRK1AMAPK14MAPK13MAPK12
SCHEMBL30576138 0.89 NPC1 (0.51) DYRK1AMAPK14NPC1RAB9AMEN1
SCHEMBL30576105 0.88 DYRK1A (0.60) F2DYRK1AMAPK14MAPK13MAPK12
SCHEMBL30576125 0.87 GSK3A (0.45) F2DYRK1AMAPK14MAPK13MAPK12
SCHEMBL30576073 0.86 RAB9A (0.56) DYRK1AMAPK14PIP5K1CRAB9AMAPT
SCHEMBL30576064 0.86 ITGB2 (0.49) MEN1KMT2APKMGSK3AGSK3B

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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