SCHEMBL30576128

SCHEMBL30576128

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.55
▸ TP53 P04637 2/20 0.55
▸ F2 P00734 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ MAPK14 Q16539 3/20 0.47
▸ DYRK1A Q13627 1/20 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 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ MITF O75030 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ XBP1 P17861 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
SCHEMBL30576056 0.92 F2 (0.49) MAPTTP53F2ALDH1A1MAPK14
SCHEMBL30576104 0.91 DYRK1A (0.54) MAPTTP53F2ALDH1A1MAPK14
SCHEMBL30576121 0.89 MAPK14 (0.52) MAPTTP53POLBMAPK14DYRK1A
SCHEMBL29083767 0.89 RXRA (0.58) MAPTTP53F2ALDH1A1MAPK14
SCHEMBL30576105 0.88 DYRK1A (0.60) F2MAPK14DYRK1AMAPK13MAPK12
SCHEMBL30576044 0.88 HTR1F (0.57) ALDH1A1HPGDMAPK14DYRK1APIP5K1C
SCHEMBL30576117 0.86 RAF1 (0.48) MAPTALDH1A1MAPK14DYRK1ANPC1
SCHEMBL30576175 0.85 CHRM1 (0.55) MAPTTP53F2ALDH1A1POLB
SCHEMBL30576143 0.85 DYRK1A (0.54) MAPTTP53F2ALDH1A1MAPK14
SCHEMBL30576020 0.84 MAPK14 (0.47) ALDH1A1MAPK14DYRK1ANPC1RAB9A

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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