SCHEMBL17489238

SCHEMBL17489238

CCN1CCN(C(=O)c2ccc(Nc3ncc(F)c(-c4ccc5nc(C)n(C(C)C)c5c4)n3)nc2)CC1

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CDK6 Q00534 16/20 0.74
CCND1 P24385 9/20 0.74
DYRK2 Q92630 4/20 0.69
PIM1 P11309 1/20 0.65
CDK4 P11802 2/20 0.63
CCND3 P30281 2/20 0.63

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 0.92 CDK6 (0.79) CDK6CCND1DYRK2PIM1
SCHEMBL17488982 0.92 CDK6 (0.69) CDK6CCND1DYRK2PIM1
SCHEMBL17477157 0.91 CDK6 (0.62) CDK6CCND1DYRK2PIM1
SCHEMBL19209837 0.90 CDK6 (0.69) CDK6CCND1DYRK2PIM1CDK4
SCHEMBL17477168 0.90 CDK6 (0.75) CDK6CCND1DYRK2PIM1CDK4
SCHEMBL17488825 0.89 CDK6 (0.72) CDK6CCND1DYRK2PIM1
SCHEMBL19966302 0.87 CDK6 (0.66) CDK6CCND1DYRK2PIM1CDK4
SCHEMBL24322965 0.85 CCND1 (1.00) CDK6CCND1DYRK2CDK4
SCHEMBL17489122 0.84 CDK4 (0.66) CDK6CCND1DYRK2PIM1CDK4
SCHEMBL19966573 0.84 CDK6 (0.64) CDK6CCND1DYRK2PIM1CDK4

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