SCHEMBL29684328

SCHEMBL29684328

CCN1CCN(Cc2ccc(Nc3ncc(F)c(-c4cc5cccnc5cc4F)n3)nc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CDK6 Q00534 16/20 0.70
▸ CCND1 P24385 14/20 0.70
▸ DYRK2 Q92630 2/20 0.62
▸ CDK4 P11802 6/20 0.60
▸ CCND3 P30281 3/20 0.60
▸ CDK1 P06493 1/20 0.58
▸ CCNA2 P20248 1/20 0.58

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
SCHEMBL24483255 1.00 CDK6 (0.70) CDK6CCND1DYRK2CDK4CCND3
Hydrochloric Acid SCHEMBL29684067 0.99 CDK6 (0.69) CDK6CCND1DYRK2CDK4CCND3
SCHEMBL29684177 0.88 CDK6 (0.75) CDK6CCND1DYRK2CDK4CCND3
SCHEMBL24482653 0.88 CDK6 (0.75) CDK6CCND1DYRK2CDK4CCND3
SCHEMBL24483256 0.88 CDK6 (0.59) CDK6CCND1CDK4CCND3CDK1
SCHEMBL29684221 0.88 CDK6 (0.59) CDK6CCND1CDK4CCND3CDK1
Hydrochloric Acid SCHEMBL29684440 0.87 CDK6 (0.58) CDK6CCND1CDK4CCND3CDK1
Hydrochloric Acid SCHEMBL29684319 0.87 CDK6 (0.74) CDK6CCND1DYRK2CDK4CCND3
SCHEMBL24482650 0.83 CDK6 (0.69) CDK6CCND1DYRK2CDK4CCND3
SCHEMBL29684497 0.83 CDK6 (0.69) CDK6CCND1DYRK2CDK4CCND3

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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