SCHEMBL29684063

SCHEMBL29684063

CCCCOC(=O)N1CCC(c2cnc(Nc3ncc(F)c(-c4cc(F)c5nccc(C(C)O)c5c4)n3)nc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CDK6 Q00534 20/20 0.44
▸ CDK4 P11802 19/20 0.44
▸ CSF1R P07333 4/20 0.44
▸ CDK2 P24941 9/20 0.41
▸ CDK1 P06493 4/20 0.41
▸ CDK7 P50613 2/20 0.41
▸ CDK9 P50750 2/20 0.41
▸ CCNA2 P20248 5/20 0.40
▸ CCND3 P30281 10/20 0.39
▸ CCND1 P24385 6/20 0.39
▸ CCNE2 O96020 4/20 0.39
▸ CDK5 Q00535 2/20 0.39
▸ PIM1 P11309 2/20 0.38
▸ CCNK O75909 1/20 0.38
▸ CCNH P51946 1/20 0.38
▸ CDK5R1 Q15078 1/20 0.38
▸ CCNE1 P24864 1/20 0.38

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
SCHEMBL29684582 0.94 CDK6 (0.52) CDK6CDK4CSF1RCDK2CDK1
SCHEMBL29684311 0.94 CDK6 (0.52) CDK6CDK4CSF1RCDK2CDK1
SCHEMBL24483282 0.87 CDK6 (0.48) CDK6CDK4CSF1RCDK2CDK7
SCHEMBL29684556 0.87 CDK6 (0.48) CDK6CDK4CSF1RCDK2CDK7
SCHEMBL29684367 0.87 CDK6 (0.47) CDK6CDK4CSF1RCDK2CDK1
SCHEMBL29684096 0.86 CDK6 (0.52) CDK6CDK4CSF1RCDK2CDK1
SCHEMBL29684601 0.85 CDK6 (0.51) CDK6CDK4CSF1RCDK2CDK1
SCHEMBL29684167 0.84 CDK6 (0.46) CDK6CDK4CSF1RCDK2CDK1
SCHEMBL24483429 0.82 CDK6 (0.53) CDK6CDK4CSF1RCDK2CDK1
SCHEMBL24483283 0.80 CDK6 (0.56) CDK6CDK4CSF1RCDK2CDK1

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-2022113003-A1 CDK INHIBITORS RHIZEN PHARMACEUTICALS AG (CH) 2022-06-02 — — WO claimed
WO-2022113003-A1 CDK INHIBITORS RHIZEN PHARMACEUTICALS AG (CH) 2022-06-02 — — WO disclosed
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