SCHEMBL17489166

SCHEMBL17489166

COC(=O)N[C@H]1CCN(C(=O)c2ccc(Nc3ncc(F)c(-c4cc(F)c5nc(C)n(C(C)C)c5c4)n3)nc2)C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 20/20 0.58
CDK6 Q00534 18/20 0.58
CDK2 P24941 15/20 0.58
CCND3 P30281 5/20 0.57
CCND1 P24385 4/20 0.57
CDK1 P06493 6/20 0.56
CCNB1 P14635 5/20 0.56
CCNE1 P24864 5/20 0.56
CDK5 Q00535 2/20 0.56
CDK9 P50750 4/20 0.55
CDK7 P50613 3/20 0.55
CCNA2 P20248 2/20 0.55
CIT O14578 1/20 0.55
GAK O14976 1/20 0.55
DYRK3 O43781 1/20 0.55
CCNT1 O60563 1/20 0.55
STK16 O75716 1/20 0.55
CCNK O75909 1/20 0.55
STK10 O94804 1/20 0.55
PRKD3 O94806 1/20 0.55

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
SCHEMBL17488790 0.93 CDK4 (0.64) CDK4CDK6CDK2CCND3CCND1
SCHEMBL17489136 0.93 CDK4 (0.64) CDK4CDK6CDK2CCND3CCND1
SCHEMBL17489140 0.93 CDK4 (0.64) CDK4CDK6CDK2CCND3CCND1
SCHEMBL17489163 0.89 CDK4 (0.60) CDK4CDK6CDK2CCND3CCND1
SCHEMBL17488656 0.89 CDK4 (0.60) CDK4CDK6CDK2CCND3CCND1
SCHEMBL17488736 0.89 CDK4 (0.58) CDK4CDK6CDK2CCND3CCND1
SCHEMBL17488680 0.88 CDK4 (0.62) CDK4CDK6CDK2CCND3CCND1
SCHEMBL17477127 0.88 CDK4 (0.71) CDK4CDK6CDK2CCND3CCND1
SCHEMBL17488816 0.88 CDK4 (0.71) CDK4CDK6CDK2CCND3CCND1
SCHEMBL17488764 0.88 CDK4 (0.71) CDK4CDK6CDK2CCND3CCND1

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-2016015605-A1 COMPOUNDS AS CDK SMALL-MOLECULE INHIBITORS AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-02-04 WO disclosed