SCHEMBL14964239

SCHEMBL14964239

CC(C)n1cnc2c(N(C)c3ccc(-c4ccccn4)cc3)cc(N[C@H](CO)[C@@H](C)O)nc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 11/20 0.54
▸ CDK2 P24941 15/20 0.49
▸ CCNA2 P20248 13/20 0.49
▸ CCNA1 P78396 11/20 0.49
▸ CDK9 P50750 8/20 0.49
▸ CCNT1 O60563 7/20 0.49
▸ CDK5 Q00535 12/20 0.47
▸ CDK5R1 Q15078 11/20 0.47
▸ CSNK1A1 P48729 6/20 0.47
▸ GSK3B P49841 2/20 0.47
▸ GSK3A P49840 1/20 0.47
▸ CDK1 P06493 5/20 0.47
▸ CCNE1 P24864 5/20 0.47
▸ CCNB1 P14635 4/20 0.47
▸ CDK7 P50613 4/20 0.47
▸ CCNH P51946 4/20 0.47
▸ CCNK O75909 4/20 0.47
▸ CDK12 Q9NYV4 4/20 0.47
▸ CDK4 P11802 3/20 0.47
▸ CCND1 P24385 3/20 0.47

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
SCHEMBL14964230 0.87 CDK2 (0.59) DYRK1ACDK2CCNA2CCNA1CDK9
SCHEMBL14977879 0.82 DYRK1A (0.79) DYRK1ACDK2CCNA2CCNA1CDK9
SCHEMBL14964243 0.82 DYRK1A (0.79) DYRK1ACDK2CCNA2CCNA1CDK9
SCHEMBL14964241 0.82 DYRK1A (0.79) DYRK1ACDK2CCNA2CCNA1CDK9
SCHEMBL14964303 0.78 CDK2 (0.56) DYRK1ACDK2CCNA2CCNA1CDK9
SCHEMBL14964248 0.78 CDK2 (0.56) DYRK1ACDK2CCNA2CCNA1CDK9
SCHEMBL13001908 0.74 CDK2 (0.79) DYRK1ACDK2CCNA2CCNA1CDK9
SCHEMBL3768325 0.74 CDK2 (0.79) DYRK1ACDK2CCNA2CCNA1CDK9
SCHEMBL22022251 0.74 CDK2 (0.72) DYRK1ACDK2CCNA2CCNA1CDK9
SCHEMBL3768333 0.74 CDK2 (0.79) DYRK1ACDK2CCNA2CCNA1CDK9

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