SCHEMBL24528966

SCHEMBL24528966

CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCN(C4CCNCC4)CC3)s2)o1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 16/20 0.83
▸ CDK9 P50750 12/20 0.83
▸ CCNE2 O96020 7/20 0.83
▸ CCNE1 P24864 7/20 0.83
▸ CCNT1 O60563 4/20 0.83
▸ CDK7 P50613 4/20 0.83
▸ CCNH P51946 3/20 0.83
▸ MNAT1 P51948 2/20 0.83
▸ CCNA1 P78396 2/20 0.83
▸ CDK1 P06493 2/20 0.83
▸ CCNB1 P14635 2/20 0.83
▸ CIT O14578 1/20 0.83
▸ CASK O14936 1/20 0.83
▸ AURKA O14965 1/20 0.83
▸ GAK O14976 1/20 0.83
▸ DCLK1 O15075 1/20 0.83
▸ MAP3K7 O43318 1/20 0.83
▸ ULK1 O75385 1/20 0.83
▸ RPS6KA5 O75582 1/20 0.83
▸ PAK3 O75914 1/20 0.83

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
SCHEMBL24528980 0.96 CDK2 (0.79) CDK2CDK9CCNE2CCNE1CCNT1
SCHEMBL4994410 0.94 CDK2 (0.83) CDK2CDK9CCNE2CCNE1CCNT1
SCHEMBL24528979 0.93 CDK2 (0.79) CDK2CDK9CCNE2CCNE1CCNT1
Bms-387032 SCHEMBL187401 0.91 CDK2 (1.00) CDK2CDK9CCNE2CCNE1CCNT1
SCHEMBL24528861 0.91 CDK2 (0.79) CDK2CDK9CCNE2CCNE1CCNT1
Bms-387032 SCHEMBL20583046 0.90 CDK2 (0.98) CDK2CDK9CCNE2CCNE1CCNT1
SCHEMBL27191482 0.89 CDK2 (0.72) CDK2CDK9CCNE2CCNE1CCNT1
SCHEMBL17148365 0.88 CDK2 (0.81) CDK2CDK9CCNE2CCNE1CCNT1
SCHEMBL24528860 0.88 CDK2 (0.74) CDK2CDK9CCNE2CCNE1CCNT1
SCHEMBL20905302 0.87 CDK2 (1.00) CDK2CDK9CCNE2CCNE1CCNT1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4446324-A1 LIGAND COMPOUNDS FOR E3 UBIQUITIN LIGASE, PROTEIN DEGRADERS DEVELOPED ON BASIS OF LIGAND COMPOUNDS, AND USES THEREOF Gluetacs Therapeutics (Shanghai) Co., Ltd. (CN) 2024-10-16 — — EP disclosed
WO-2023104155-A1 LIGAND COMPOUNDS FOR E3 UBIQUITIN LIGASE, PROTEIN DEGRADERS DEVELOPED ON BASIS OF LIGAND COMPOUNDS, AND USES THEREOF 标新生物医药科技(上海)有限公司 2023-06-15 — — WO disclosed
WO-2022129925-A1 NOVEL BIFUNCTIONAL MOLECULES FOR TARGETED PROTEIN DEGRADATION AMPHISTA THERAPEUTICS LIMITED (GB) 2022-06-23 — — WO disclosed
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