SCHEMBL14531806

SCHEMBL14531806

CC[C@H](CO)NC(=O)c1ccc2[nH]c(-c3cccc(-c4cccnc4O)c3)nc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 6/20 0.42
▸ DYRK2 Q92630 6/20 0.42
▸ DYRK1B Q9Y463 6/20 0.42
▸ DYRK3 O43781 5/20 0.42
▸ CCNA2 P20248 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ CDK5 Q00535 1/20 0.41
▸ CDK5R1 Q15078 1/20 0.41
▸ MAPT P10636 6/20 0.39
▸ TP53 P04637 3/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ IKBKB O14920 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL1761767 0.81 KDM4E (0.45) MAPTTP53SMN1; SMN2KDM4EMEN1
SCHEMBL12834509 0.80 HDAC6 (0.44) MAPTKDM4EHDAC6HDAC3HDAC1
SCHEMBL12834422 0.80 HDAC6 (0.44) MAPTKDM4EHDAC6HDAC3HDAC1
SCHEMBL12833979 0.76 HDAC6 (0.44) MAPTKDM4EHDAC6HDAC3HDAC1
SCHEMBL14531805 0.74 HDAC6 (0.42) MAPTKDM4EHDAC6HDAC3HDAC1
SCHEMBL14090471 0.74 HDAC6 (0.47) CCNA2CDK2IKBKBHDAC6HDAC3
SCHEMBL12833922 0.73 HDAC6 (0.42) MAPTSMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL12833860 0.73 HDAC6 (0.42) KDM4EHDAC6HDAC3HDAC1HDAC2
SCHEMBL12833859 0.72 ROCK2 (0.48) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL12834063 0.71 HDAC6 (0.40) KDM4EHDAC6HDAC3HDAC1HDAC2

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-2007056155-A1 HETEROCYCLIC COMPOUNDS AS TYROSINE KINASE MODULATORS CHEMBRIDGE RESEARCH LABORATORIES, INC. (US) 2007-05-18 — — WO disclosed
Send feedback