SCHEMBL24477804

SCHEMBL24477804

NS(=O)(=O)N1CCC(Nc2ncc(C(F)(F)F)c(OC3CCCCCC3O)n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 19/20 0.47
▸ CCNE1 P24864 18/20 0.47
▸ CCND1 P24385 13/20 0.47
▸ CDK6 Q00534 13/20 0.47
▸ CDK1 P06493 6/20 0.47
▸ CCNB1 P14635 6/20 0.47
▸ CDK4 P11802 5/20 0.47
▸ CCND3 P30281 5/20 0.47
▸ KDR P35968 1/20 0.43
▸ CCNT1 O60563 1/20 0.41
▸ CDK7 P50613 1/20 0.41
▸ CDK9 P50750 1/20 0.41
▸ CCNH P51946 1/20 0.41
▸ MNAT1 P51948 1/20 0.41
▸ ULK1 O75385 1/20 0.41

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
SCHEMBL24477968 1.00 CDK2 (0.47) CDK2CCNE1CCND1CDK6CDK1
SCHEMBL24477970 1.00 CDK2 (0.47) CDK2CCNE1CCND1CDK6CDK1
SCHEMBL24477880 0.92 CDK2 (0.57) CDK2CCNE1CCND1CDK6CDK1
SCHEMBL24477803 0.92 CDK2 (0.57) CDK2CCNE1CCND1CDK6CDK1
SCHEMBL24477893 0.92 CDK2 (0.57) CDK2CCNE1CCND1CDK6CDK1
SCHEMBL24477891 0.91 CCNE1 (0.56) CDK2CCNE1CCND1CDK6CDK1
SCHEMBL24477878 0.91 CCNE1 (0.56) CDK2CCNE1CCND1CDK6CDK1
SCHEMBL24477913 0.91 CCNE1 (0.56) CDK2CCNE1CCND1CDK6CDK1
SCHEMBL24477886 0.90 CDK2 (0.50) CDK2CCNE1CCND1CDK6CDK1
SCHEMBL24477967 0.90 CDK2 (0.50) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

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