SCHEMBL4592688

SCHEMBL4592688

CCOC(=O)n1nc(NC(=O)c2ccccc2NC(=O)c2ccco2)c2cc(C(=O)N(C)C(C)c3ccccc3)sc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 14/20 0.44
TSHR P16473 5/20 0.44
HSD17B10 Q99714 4/20 0.44
RECQL P46063 2/20 0.44
GAA P10253 2/20 0.42
ALDH1A1 P00352 10/20 0.40
HTT P42858 2/20 0.40
HPGD P15428 7/20 0.39
MAPK1 P28482 5/20 0.39
ATM Q13315 2/20 0.39
MAPT P10636 5/20 0.38
POLB P06746 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
ESR1 P03372 1/20 0.38
L3MBTL1 Q9Y468 4/20 0.38
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
TP53 P04637 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38

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
SCHEMBL1779425 0.88 MAPK1 (0.46) KDM4ETSHRHSD17B10RECQLGAA
SCHEMBL4592913 0.88 ITGA4 (0.34) KDM4ETSHRHSD17B10GAAALDH1A1
SCHEMBL1780033 0.85 KDM4E (0.44) KDM4ETSHRHSD17B10GAAALDH1A1
SCHEMBL1778509 0.82 RXFP1 (0.41) KDM4ETSHRHSD17B10RECQLGAA
SCHEMBL739402 0.80 KDM4E (0.46) KDM4ETSHRHSD17B10GAAALDH1A1
SCHEMBL1778410 0.79 ALDH1A1 (0.40) KDM4ETSHRHSD17B10RECQLGAA
SCHEMBL742604 0.77 KDM4E (0.46) KDM4ETSHRHSD17B10GAAALDH1A1
SCHEMBL1778750 0.76 BTK (0.45) KDM4EHSD17B10ALDH1A1HPGDATM
SCHEMBL740838 0.75 KDM4E (0.42) KDM4ETSHRHSD17B10ALDH1A1HPGD
SCHEMBL1781437 0.74 BTK (0.45) KDM4ETSHRHSD17B10ALDH1A1HPGD

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
EP-1904503-A1 1H-THIENO[2,3-C]-PYRAZOLE COMPOUNDS USEFUL AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.r.l. (IT) 2008-04-02 EP disclosed
WO-2007009898-A1 1H-THIENO[2,3-C]PYRAZOLE COMPOUNDS USEFUL AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2007-01-25 WO disclosed