SCHEMBL14977879

SCHEMBL14977879

CC(C)n1cnc2c(NCc3ccc(-c4ccccn4)cc3)cc(N[C@@H](CO)[C@@H](C)O)nc21

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 7/20 0.79
▸ CDK2 P24941 17/20 0.59
▸ CDK9 P50750 9/20 0.59
▸ CCNA2 P20248 9/20 0.59
▸ CCNA1 P78396 8/20 0.59
▸ CCNT1 O60563 7/20 0.59
▸ CDK5 Q00535 7/20 0.59
▸ CDK5R1 Q15078 6/20 0.59
▸ CSNK1A1 P48729 5/20 0.59
▸ GSK3A P49840 1/20 0.59
▸ GSK3B P49841 1/20 0.59
▸ CCNE1 P24864 10/20 0.59
▸ CDK7 P50613 6/20 0.59
▸ CDK1 P06493 5/20 0.59
▸ CDK4 P11802 5/20 0.59
▸ CCNB1 P14635 5/20 0.59
▸ CCND1 P24385 5/20 0.59
▸ CCNH P51946 5/20 0.59
▸ CCNK O75909 4/20 0.59
▸ CDK12 Q9NYV4 4/20 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
SCHEMBL14964241 1.00 DYRK1A (0.79) DYRK1ACDK2CDK9CCNA2CCNA1
SCHEMBL14964243 1.00 DYRK1A (0.79) DYRK1ACDK2CDK9CCNA2CCNA1
SCHEMBL13030951 0.91 DYRK1A (0.92) DYRK1ACDK2CDK9CCNA2CCNA1
SCHEMBL13030939 0.88 DYRK1A (1.00) DYRK1ACDK2CDK9CCNA2CCNA1
SCHEMBL3506799 0.88 DYRK1A (0.77) DYRK1ACDK2CDK9CCNA2CCNA1
SCHEMBL13030940 0.88 DYRK1A (1.00) DYRK1ACDK2CDK9CCNA2CCNA1
SCHEMBL14964582 0.88 DYRK1A (1.00) DYRK1ACDK2CDK9CCNA2CCNA1
SCHEMBL14964232 0.87 DYRK1A (0.75) DYRK1ACDK2CDK9CCNA2CCNA1
SCHEMBL13907136 0.84 DYRK1A (0.75) DYRK1ACDK2CDK9CCNA2CCNA1
SCHEMBL3768325 0.84 CDK2 (0.79) DYRK1ACDK2CDK9CCNA2CCNA1

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
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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