SCHEMBL24477803

SCHEMBL24477803

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

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 20/20 0.57
▸ CCNE1 P24864 19/20 0.57
▸ CCND1 P24385 13/20 0.57
▸ CDK6 Q00534 13/20 0.57
▸ CDK4 P11802 8/20 0.57
▸ CDK1 P06493 7/20 0.57
▸ CCNB1 P14635 7/20 0.57
▸ CCND3 P30281 6/20 0.57
▸ CCNT1 O60563 2/20 0.47
▸ CDK9 P50750 2/20 0.47
▸ CCNE2 O96020 1/20 0.47
▸ KDR P35968 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
SCHEMBL24477880 1.00 CDK2 (0.57) CDK2CCNE1CCND1CDK6CDK4
SCHEMBL24477893 1.00 CDK2 (0.57) CDK2CCNE1CCND1CDK6CDK4
SCHEMBL24477891 0.99 CCNE1 (0.56) CDK2CCNE1CCND1CDK6CDK4
SCHEMBL24477878 0.99 CCNE1 (0.56) CDK2CCNE1CCND1CDK6CDK4
SCHEMBL24477913 0.99 CCNE1 (0.56) CDK2CCNE1CCND1CDK6CDK4
SCHEMBL24477778 0.97 CCNE1 (0.54) CDK2CCNE1CCND1CDK6CDK4
SCHEMBL25665799 0.97 CCNE1 (0.54) CDK2CCNE1CCND1CDK6CDK4
SCHEMBL24477970 0.92 CDK2 (0.47) CDK2CCNE1CCND1CDK6CDK4
SCHEMBL24477968 0.92 CDK2 (0.47) CDK2CCNE1CCND1CDK6CDK4
SCHEMBL24477804 0.92 CDK2 (0.47) CDK2CCNE1CCND1CDK6CDK4

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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