SCHEMBL17488982

SCHEMBL17488982

Cc1nc2ccc(-c3nc(Nc4ccc(C(=O)N5CCCC5)cn4)ncc3F)cc2n1C(C)C

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CDK6 Q00534 12/20 0.69
PIM1 P11309 4/20 0.67
DYRK2 Q92630 8/20 0.65
CCND1 P24385 3/20 0.62

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
SCHEMBL17489295 0.94 CDK6 (0.79) CDK6PIM1DYRK2CCND1
SCHEMBL17488825 0.93 CDK6 (0.72) CDK6PIM1DYRK2CCND1
SCHEMBL17489238 0.92 CDK6 (0.74) CDK6PIM1DYRK2CCND1
SCHEMBL17477157 0.88 CDK6 (0.62) CDK6PIM1DYRK2CCND1
SCHEMBL17488846 0.87 CDK6 (0.64) CDK6PIM1DYRK2CCND1
SCHEMBL17488845 0.87 CDK6 (0.64) CDK6PIM1DYRK2CCND1
SCHEMBL17488863 0.83 CDK4 (0.69) CDK6PIM1DYRK2CCND1
SCHEMBL17488725 0.83 CDK6 (0.68) CDK6PIM1DYRK2CCND1
SCHEMBL19231737 0.83 CDK6 (0.64) CDK6PIM1DYRK2CCND1
SCHEMBL19968024 0.83 CDK6 (0.58) CDK6PIM1DYRK2CCND1

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