SCHEMBL24477682

SCHEMBL24477682

Cn1cc(S(=O)(=O)N2CCC(Nc3ncc(C(F)(F)F)c(O[C@@H]4CCOC[C@]4(C)O)n3)CC2)cn1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 20/20 0.54
▸ CCNE1 P24864 19/20 0.54
▸ CCND1 P24385 11/20 0.54
▸ CDK6 Q00534 11/20 0.54
▸ CDK1 P06493 8/20 0.54
▸ CCNB1 P14635 8/20 0.54
▸ CDK4 P11802 7/20 0.54
▸ CCND3 P30281 7/20 0.54
▸ CCNT1 O60563 3/20 0.54
▸ CDK7 P50613 3/20 0.54
▸ CDK9 P50750 3/20 0.54
▸ CCNH P51946 3/20 0.54
▸ MNAT1 P51948 3/20 0.54
▸ CCNK O75909 1/20 0.42
▸ CCNA2 P20248 1/20 0.42
▸ CDK12 Q9NYV4 1/20 0.42

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
SCHEMBL24477710 1.00 CDK2 (0.54) CDK2CCNE1CCND1CDK6CDK1
SCHEMBL24477667 1.00 CDK2 (0.54) CDK2CCNE1CCND1CDK6CDK1
SCHEMBL24478200 0.88 CCNE1 (0.55) CDK2CCNE1CCND1CDK6CDK1
SCHEMBL24478253 0.88 CCNE1 (0.55) CDK2CCNE1CCND1CDK6CDK1
SCHEMBL24478187 0.88 CCNE1 (0.55) CDK2CCNE1CCND1CDK6CDK1
SCHEMBL26918943 0.85 CDK2 (0.58) CDK2CCNE1CCND1CDK6CDK1
SCHEMBL26918947 0.85 CDK2 (0.58) CDK2CCNE1CCND1CDK6CDK1
SCHEMBL26942675 0.85 CDK2 (0.58) CDK2CCNE1CCND1CDK6CDK1
SCHEMBL29762995 0.85 CDK2 (0.58) CDK2CCNE1CCND1CDK6CDK1
SCHEMBL26942929 0.82 CDK2 (0.57) CDK2CCNE1CCND1CDK6CDK1

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
WO-2023093769-A1 AMINOHETEROARYL KINASE INHIBITORS ANRUI BIOMEDICAL TECHNOLOGY (GUANGZHOU) CO.,LTD. (CN) 2023-06-01 — — WO disclosed
WO-2022111621-A1 AMINOHETEROARYL KINASE INHIBITORS ANRUI BIOMEDICAL TECHNOLOGY (GUANGZHOU) CO., LTD. (CN) 2022-06-02 — — WO disclosed
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