SCHEMBL14964304

SCHEMBL14964304

CC[C@@H](CO)Nc1cc(NCc2ccc(-c3ccccc3)cc2)c2ncn(C(C)C)c2n1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 4/20 0.82
▸ CDK2 P24941 10/20 0.70
▸ CCNE1 P24864 9/20 0.70
▸ CCNK O75909 7/20 0.70
▸ CDK12 Q9NYV4 7/20 0.70
▸ CCNE2 O96020 5/20 0.70
▸ CCNA2 P20248 3/20 0.70
▸ CCNA1 P78396 2/20 0.70
▸ CDK1 P06493 10/20 0.61
▸ CDK5 Q00535 7/20 0.61
▸ CDK9 P50750 5/20 0.61
▸ CDK7 P50613 5/20 0.61
▸ CCNB1 P14635 5/20 0.61
▸ CDK4 P11802 3/20 0.61
▸ CCND1 P24385 3/20 0.61
▸ CCNH P51946 3/20 0.61
▸ CCNB2 O95067 3/20 0.61
▸ CCNB3 Q8WWL7 3/20 0.61
▸ CSNK1D P48730 2/20 0.61
▸ CLK2 P49760 2/20 0.61

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
SCHEMBL14964249 1.00 DYRK1A (0.82) DYRK1ACDK2CCNE1CCNKCDK12
SCHEMBL13030937 0.94 DYRK1A (0.79) DYRK1ACDK2CCNE1CCNKCDK12
SCHEMBL13030936 0.94 DYRK1A (0.79) DYRK1ACDK2CCNE1CCNKCDK12
SCHEMBL3508659 0.94 DYRK1A (0.79) DYRK1ACDK2CCNE1CCNKCDK12
SCHEMBL13030940 0.91 DYRK1A (1.00) DYRK1ACDK2CCNE1CCNKCDK12
SCHEMBL14964582 0.91 DYRK1A (1.00) DYRK1ACDK2CCNE1CCNKCDK12
SCHEMBL13030939 0.91 DYRK1A (1.00) DYRK1ACDK2CCNE1CCNKCDK12
SCHEMBL13030951 0.86 DYRK1A (0.92) DYRK1ACDK2CCNE1CCNKCDK12
SCHEMBL17628573 0.83 CDK2 (1.00) DYRK1ACDK2CCNE1CCNKCDK12
SCHEMBL14977882 0.83 DYRK1A (0.58) DYRK1ACDK2CCNE1CCNKCDK12

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8450342-B2 Perharidines as CDK inhibitors CENTRE NATIONALE DE LA RECHERCHE SCIENTIFIQUE (FR) 2013-05-28 — — US disclosed
US-8450342-B2 Perharidines as CDK inhibitors CENTRE NATIONALE DE LA RECHERCHE SCIENTIFIQUE (FR) 2013-05-28 — — US disclosed
US-8450342-B2 Perharidines as CDK inhibitors CENTRE NATIONALE DE LA RECHERCHE SCIENTIFIQUE (FR) 2013-05-28 — — US disclosed
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