SCHEMBL17477157

SCHEMBL17477157

Cc1nc2ccc(-c3nc(Nc4ccc(C(=O)N5CCN(CCC(F)(F)F)CC5)cn4)ncc3F)cc2n1C(C)C

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CDK6 Q00534 15/20 0.62
CCND1 P24385 7/20 0.62
PIM1 P11309 3/20 0.61
DYRK2 Q92630 5/20 0.59

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
SCHEMBL17489029 0.91 CDK6 (0.62) CDK6CCND1PIM1DYRK2
SCHEMBL17489238 0.91 CDK6 (0.74) CDK6CCND1PIM1DYRK2
SCHEMBL17489295 0.88 CDK6 (0.79) CDK6CCND1PIM1DYRK2
SCHEMBL17488982 0.88 CDK6 (0.69) CDK6CCND1PIM1DYRK2
SCHEMBL17488825 0.88 CDK6 (0.72) CDK6CCND1PIM1DYRK2
SCHEMBL17489032 0.84 CDK6 (0.66) CDK6CCND1PIM1DYRK2
SCHEMBL17489030 0.83 CDK4 (0.65) CDK6CCND1PIM1DYRK2
SCHEMBL17488859 0.83 CDK6 (0.66) CDK6CCND1PIM1DYRK2
SCHEMBL17477168 0.81 CDK6 (0.75) CDK6CCND1PIM1DYRK2
SCHEMBL17489122 0.81 CDK4 (0.66) CDK6CCND1PIM1DYRK2

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