SCHEMBL2638726

SCHEMBL2638726

Cc1nc(C(C)C)c(-c2ccnc(Nc3ccc(C(=O)Nc4ccccc4N)cc3)n2)[nH]1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 19/20 0.61
JAK2 O60674 2/20 0.54
HDAC3 O15379 5/20 0.51
HDAC2 Q92769 5/20 0.51
HDAC11 Q96DB2 4/20 0.51
HDAC8 Q9BY41 4/20 0.51
HDAC6 Q9UBN7 4/20 0.51
PDGFRB P09619 3/20 0.51
KDR P35968 3/20 0.51
HDAC4 P56524 3/20 0.51
HDAC7 Q8WUI4 3/20 0.51
HDAC10 Q969S8 3/20 0.51
HDAC9 Q9UKV0 3/20 0.51
HDAC5 Q9UQL6 3/20 0.51
ABL1 P00519 2/20 0.51
NCOR1 O75376 1/20 0.48
CYP3A4 P08684 1/20 0.48
NCOR2 Q9Y618 1/20 0.48
ALK Q9UM73 1/20 0.47
CSF1R P07333 1/20 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
SCHEMBL2638918 0.91 HDAC1 (0.51) HDAC1JAK2HDAC3HDAC2HDAC11
SCHEMBL2638247 0.88 HDAC1 (0.47) HDAC1JAK2HDAC3HDAC2HDAC11
SCHEMBL2638427 0.87 HDAC1 (0.46) HDAC1JAK2HDAC3HDAC2HDAC11
SCHEMBL2638675 0.85 HDAC1 (0.46) HDAC1HDAC3HDAC2HDAC11HDAC8
SCHEMBL2637850 0.85 HDAC1 (0.47) HDAC1JAK2HDAC3HDAC2HDAC11
SCHEMBL2637851 0.84 HDAC1 (0.53) HDAC1HDAC3HDAC2HDAC11HDAC8
SCHEMBL2639027 0.84 CAMK2D (0.54) HDAC1JAK2HDAC3HDAC2HDAC11
SCHEMBL2637961 0.84 HDAC1 (0.42) HDAC1JAK2HDAC3HDAC2HDAC11
SCHEMBL2638221 0.83 HDAC1 (0.47) HDAC1JAK2HDAC3HDAC2HDAC11
SCHEMBL3133124 0.83 HDAC1 (0.43) HDAC1HDAC3HDAC2HDAC11HDAC8

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
JP-2011528039-A 2011-11-10 JP claimed
WO-2010009139-A2 IMIDAZOLYL PYRIMIDINE INHIBITOR COMPOUNDS GILEAD COLORADO, INC. (US) 2010-01-21 WO claimed
WO-2010009139-A2 IMIDAZOLYL PYRIMIDINE INHIBITOR COMPOUNDS GILEAD COLORADO, INC. (US) 2010-01-21 WO disclosed