SCHEMBL29684156

SCHEMBL29684156

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

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DYRK2 Q92630 6/20 0.48
▸ CDK6 Q00534 11/20 0.46
▸ CDK4 P11802 10/20 0.46
▸ CCND3 P30281 7/20 0.46
▸ CCND1 P24385 2/20 0.46
▸ WNT3A P56704 1/20 0.42
▸ CSF1R P07333 1/20 0.41
▸ CDK2 P24941 2/20 0.40
▸ CDK5 Q00535 1/20 0.40
▸ ALK Q9UM73 1/20 0.39
▸ GPR119 Q8TDV5 1/20 0.39
▸ CCNE2 O96020 1/20 0.39
▸ CDK1 P06493 1/20 0.39
▸ CCNA2 P20248 1/20 0.39

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
SCHEMBL24483285 1.00 DYRK2 (0.48) DYRK2CDK6CDK4CCND3CCND1
SCHEMBL24483416 0.94 CDK6 (0.51) DYRK2CDK6CDK4CCND3CCND1
SCHEMBL29684097 0.94 CDK6 (0.51) DYRK2CDK6CDK4CCND3CCND1
SCHEMBL29199711 0.89 CDK4 (0.51) DYRK2CDK6CDK4CCND3CCND1
SCHEMBL29684556 0.88 CDK6 (0.48) DYRK2CDK6CDK4CCND3CCND1
SCHEMBL24483282 0.88 CDK6 (0.48) DYRK2CDK6CDK4CCND3CCND1
SCHEMBL24483417 0.85 CDK6 (0.51) DYRK2CDK6CDK4CCND3CCND1
SCHEMBL29684252 0.85 CDK6 (0.51) DYRK2CDK6CDK4CCND3CCND1
SCHEMBL24483280 0.83 CDK6 (0.52) CDK6CDK4CCND3CCND1CSF1R
SCHEMBL29684318 0.83 CDK6 (0.52) CDK6CDK4CCND3CCND1CSF1R

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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