SCHEMBL26942570

SCHEMBL26942570

Cn1cc(-c2ccc(S(=O)(=O)N3CCC(Nc4ncc(C#N)c(N[C@H]5CC[C@H](O)C5)n4)CC3)cc2)cn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 13/20 0.58
▸ CCNA2 P20248 7/20 0.58
▸ CCNK O75909 2/20 0.58
▸ CDK12 Q9NYV4 2/20 0.58
▸ SYK P43405 1/20 0.46
▸ CCNE1 P24864 6/20 0.46
▸ CDK1 P06493 5/20 0.46
▸ CCNB1 P14635 5/20 0.46
▸ CCNB2 O95067 2/20 0.46
▸ CCNE2 O96020 2/20 0.46
▸ CDK5 Q00535 2/20 0.46
▸ CDK5R1 Q15078 2/20 0.46
▸ CCNB3 Q8WWL7 2/20 0.46
▸ CCR6 P51684 2/20 0.45
▸ AXL P30530 2/20 0.45
▸ TYRO3 Q06418 2/20 0.45
▸ MERTK Q12866 2/20 0.45
▸ CCNT1 O60563 3/20 0.44
▸ CDK4 P11802 3/20 0.44
▸ CCND1 P24385 3/20 0.44

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
SCHEMBL26942670 1.00 CDK2 (0.58) CDK2CCNA2CCNKCDK12SYK
SCHEMBL26942168 1.00 CDK2 (0.58) CDK2CCNA2CCNKCDK12SYK
SCHEMBL26942674 1.00 CDK2 (0.58) CDK2CCNA2CCNKCDK12SYK
SCHEMBL26942170 1.00 CDK2 (0.58) CDK2CCNA2CCNKCDK12SYK
SCHEMBL26942075 0.91 CDK2 (0.52) CDK2CCNA2CCNKCDK12SYK
SCHEMBL26941649 0.91 CDK2 (0.52) CDK2CCNA2CCNKCDK12SYK
SCHEMBL26944562 0.91 CDK2 (0.52) CDK2CCNA2CCNKCDK12SYK
SCHEMBL26941594 0.91 CDK2 (0.52) CDK2CCNA2CCNKCDK12SYK
SCHEMBL26942059 0.90 CDK2 (0.63) CDK2CCNA2CCNKCDK12CCNE1
SCHEMBL26942397 0.86 CDK2 (0.52) CDK2CCNA2CCNKCDK12SYK

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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