SCHEMBL29684556

SCHEMBL29684556

CC(O)c1ccnc2c(F)cc(-c3nc(Nc4ncc(C5CCN(C(=O)OC(C)(C)C)CC5)cn4)ncc3F)cc12

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CDK6 Q00534 9/20 0.48
▸ CDK4 P11802 8/20 0.48
▸ CCND3 P30281 3/20 0.48
▸ CCND1 P24385 2/20 0.48
▸ DYRK2 Q92630 5/20 0.47
▸ CSF1R P07333 3/20 0.43
▸ ALK Q9UM73 1/20 0.43
▸ CCNA2 P20248 2/20 0.40
▸ CDK2 P24941 2/20 0.40
▸ CCNK O75909 1/20 0.40
▸ CDK7 P50613 1/20 0.40
▸ CDK9 P50750 1/20 0.40
▸ CCNH P51946 1/20 0.40
▸ CDK5 Q00535 1/20 0.40
▸ CDK5R1 Q15078 1/20 0.40
▸ GPR119 Q8TDV5 4/20 0.40
▸ WNT3A P56704 1/20 0.40

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
SCHEMBL24483282 1.00 CDK6 (0.48) CDK6CDK4CCND3CCND1DYRK2
SCHEMBL24483429 0.94 CDK6 (0.53) CDK6CDK4CCND3CCND1DYRK2
SCHEMBL29684367 0.90 CDK6 (0.47) CDK6CDK4CCND3CCND1CSF1R
SCHEMBL29684156 0.88 DYRK2 (0.48) CDK6CDK4CCND3CCND1DYRK2
SCHEMBL24483285 0.88 DYRK2 (0.48) CDK6CDK4CCND3CCND1DYRK2
SCHEMBL29684063 0.87 CDK6 (0.44) CDK6CDK4CCND3CCND1CSF1R
SCHEMBL24483284 0.86 CDK6 (0.49) CDK6CDK4CCND3CCND1DYRK2
SCHEMBL24483428 0.85 CDK6 (0.52) CDK6CDK4CCND3CCND1DYRK2
SCHEMBL29684388 0.85 CDK6 (0.52) CDK6CDK4CCND3CCND1DYRK2
SCHEMBL24482800 0.84 CDK6 (0.53) CDK6CDK4CCND3CCND1DYRK2

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