SCHEMBL28062149

SCHEMBL28062149

Nc1ccccc1NC(=O)c1cnc(Nc2cc(Nc3ccccc3)ncn2)s1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 11/20 0.63
HDAC3 O15379 10/20 0.63
ABL1 P00519 8/20 0.63
HDAC2 Q92769 8/20 0.63
HDAC4 P56524 7/20 0.63
HDAC7 Q8WUI4 7/20 0.63
HDAC10 Q969S8 7/20 0.63
HDAC11 Q96DB2 7/20 0.63
HDAC8 Q9BY41 7/20 0.63
HDAC6 Q9UBN7 7/20 0.63
HDAC9 Q9UKV0 7/20 0.63
HDAC5 Q9UQL6 7/20 0.63
BCR P11274 4/20 0.63
PDGFRB P09619 4/20 0.50
KDR P35968 4/20 0.50
MAPK14 Q16539 3/20 0.47
MAPK13 O15264 2/20 0.46
MAPK12 P53778 2/20 0.46
MAPK11 Q15759 2/20 0.46
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL28827455 0.87 HDAC1 (0.61) HDAC1HDAC3ABL1HDAC2HDAC4
SCHEMBL28062146 0.83 HDAC1 (0.58) HDAC1HDAC3ABL1HDAC2HDAC4
SCHEMBL27950830 0.81 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL28062115 0.81 HDAC1 (0.57) HDAC1HDAC3ABL1HDAC2HDAC4
SCHEMBL27937292 0.74 EGFR (0.53) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL2491213 0.72 RAB9A (0.54) HDAC1HDAC3ABL1HDAC2HDAC4
SCHEMBL1689283 0.72 HDAC1 (0.58) HDAC1HDAC3ABL1HDAC2HDAC4
SCHEMBL774835 0.68 LCK (0.69) HDAC1ABL1BCRKDRMAPK14
SCHEMBL18086520 0.68 HDAC1 (0.62) HDAC1HDAC3ABL1HDAC2HDAC4
SCHEMBL774476 0.68 MAPK14 (0.84) ABL1BCRMAPK14MAPK13MAPK12

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
CN-103539793-B Thiazole carboxamides compounds and application thereof 南京圣和药业股份有限公司 2016-06-08 CN disclosed