SCHEMBL30576104

SCHEMBL30576104

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 2/20 0.54
▸ GSK3B P49841 2/20 0.54
▸ WNT1 P04628 1/20 0.54
▸ F2 P00734 1/20 0.48
▸ MAPK14 Q16539 2/20 0.47
▸ MAPK13 O15264 1/20 0.47
▸ MAPK12 P53778 1/20 0.47
▸ MAPK11 Q15759 1/20 0.47
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ TP53 P04637 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ MITF O75030 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ XBP1 P17861 1/20 0.46
▸ HTT P42858 1/20 0.46

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
SCHEMBL30576056 0.91 F2 (0.49) DYRK1AGSK3BF2MAPK14MAPK13
SCHEMBL30576128 0.91 MAPT (0.55) DYRK1AGSK3BF2MAPK14MAPK13
SCHEMBL29083767 0.88 RXRA (0.58) DYRK1AGSK3BF2MAPK14MAPK13
SCHEMBL30576105 0.87 DYRK1A (0.60) DYRK1AGSK3BWNT1F2MAPK14
SCHEMBL30576143 0.84 DYRK1A (0.54) DYRK1AGSK3BWNT1F2MAPK14
SCHEMBL30576175 0.84 CHRM1 (0.55) DYRK1AGSK3BWNT1F2MAPK14
SCHEMBL30576069 0.81 NPC1 (0.57) DYRK1AGSK3BWNT1NPC1RAB9A
SCHEMBL30576138 0.80 NPC1 (0.51) DYRK1AMAPK14NPC1RAB9AMEN1
SCHEMBL30576121 0.80 MAPK14 (0.52) DYRK1AGSK3BWNT1MAPK14NPC1
SCHEMBL30576180 0.80 POLB (0.47) DYRK1AGSK3BWNT1MAPK14MAPK13

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
Send feedback