SCHEMBL26943439

SCHEMBL26943439

CN(C)CCn1cc(S(=O)(=O)N2CCC(Nc3ncc(C(F)(F)F)c(O[C@H]4CCOC4)n3)CC2)cn1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 19/20 0.52
▸ CDK2 P24941 19/20 0.52
▸ CCND1 P24385 12/20 0.52
▸ CDK6 Q00534 12/20 0.52
▸ CDK1 P06493 11/20 0.52
▸ CCNB1 P14635 11/20 0.52
▸ CDK4 P11802 10/20 0.52
▸ CCND3 P30281 10/20 0.52
▸ CCNT1 O60563 5/20 0.52
▸ CDK7 P50613 5/20 0.52
▸ CDK9 P50750 5/20 0.52
▸ CCNH P51946 5/20 0.52
▸ MNAT1 P51948 5/20 0.52
▸ PTK2 Q05397 1/20 0.37

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
SCHEMBL26941879 0.91 CCNE1 (0.52) CCNE1CDK2CCND1CDK6CDK1
SCHEMBL26942675 0.89 CDK2 (0.58) CCNE1CDK2CCND1CDK6CDK1
SCHEMBL29762995 0.89 CDK2 (0.58) CCNE1CDK2CCND1CDK6CDK1
SCHEMBL26918943 0.89 CDK2 (0.58) CCNE1CDK2CCND1CDK6CDK1
SCHEMBL26918947 0.89 CDK2 (0.58) CCNE1CDK2CCND1CDK6CDK1
SCHEMBL26943438 0.88 CCNE1 (0.57) CCNE1CDK2CCND1CDK6CDK1
SCHEMBL26943179 0.86 CCNE1 (0.49) CCNE1CDK2CCND1CDK6CDK1
SCHEMBL26942927 0.86 CDK2 (0.48) CCNE1CDK2CCND1CDK6CDK1
SCHEMBL26942911 0.84 CDK2 (0.58) CCNE1CDK2CCND1CDK6CDK1
SCHEMBL26943283 0.82 CDK2 (0.57) CCNE1CDK2CCND1CDK6CDK1

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
EP-4289835-A1 CDK INHIBITOR Shanghai Qilu Pharmaceutical Research and Development Centre Ltd. (CN) 2023-12-13 — — EP disclosed
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