SCHEMBL29684518

SCHEMBL29684518

C=C(C)c1cc(C)nc2c(F)cc(-c3nc(Nc4ccc(N5CCN(C(=O)OCCCC)CC5)cn4)ncc3F)cc12

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CDK6 Q00534 18/20 0.48
▸ CDK4 P11802 16/20 0.48
▸ CCND3 P30281 15/20 0.48
▸ CDK1 P06493 12/20 0.48
▸ CCNA2 P20248 12/20 0.48
▸ CDK2 P24941 11/20 0.48
▸ CCNE2 O96020 9/20 0.48
▸ CCND1 P24385 6/20 0.48
▸ CSF1R P07333 2/20 0.47
▸ PIK3CD O00329 1/20 0.47
▸ PIM1 P11309 3/20 0.47
▸ CDK5 Q00535 1/20 0.45
▸ DYRK2 Q92630 1/20 0.45
▸ CCNT1 O60563 1/20 0.45
▸ CCNE1 P24864 1/20 0.45
▸ CDK7 P50613 1/20 0.45
▸ CDK9 P50750 1/20 0.45
▸ CCNH P51946 1/20 0.45

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
SCHEMBL29684034 0.89 CDK6 (0.49) CDK6CDK4CCND3CDK1CCNA2
SCHEMBL29684590 0.89 CDK6 (0.49) CDK6CDK4CCND3CDK1CCNA2
SCHEMBL29684002 0.89 CDK6 (0.51) CDK6CDK4CCND3CDK1CCNA2
SCHEMBL29684593 0.89 CDK6 (0.49) CDK6CDK4CCND3CDK1CCNA2
SCHEMBL29684517 0.88 CDK6 (0.51) CDK6CDK4CCND3CDK1CCNA2
SCHEMBL24482656 0.88 CDK6 (0.49) CDK6CDK4CCND3CDK1CCNA2
SCHEMBL29684222 0.88 CDK6 (0.49) CDK6CDK4CCND3CDK1CCNA2
SCHEMBL29684526 0.88 CDK6 (0.51) CDK6CDK4CCND3CDK1CCNA2
SCHEMBL29684601 0.83 CDK6 (0.51) CDK6CDK4CCND3CDK1CCNA2
SCHEMBL24482651 0.82 CDK6 (0.63) CDK6CDK4CCND3CDK1CCNA2

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