SCHEMBL8103860

SCHEMBL8103860

Cc1nc(-c2cccc(Cl)c2)c(-c2ccncc2)[nH]1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.69
MAPK13 O15264 7/20 0.69
MAPK12 P53778 7/20 0.69
MAPK11 Q15759 7/20 0.69
RAF1 P04049 4/20 0.69
TGFBR1 P36897 2/20 0.64
TGFBR2 P37173 2/20 0.64
ALOX5 P09917 1/20 0.60
KDM4E B2RXH2 1/20 0.55
HPGD P15428 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
GCGR P47871 3/20 0.54
CSNK1D P48730 3/20 0.50
CSNK1E P49674 3/20 0.50
NPY5R Q15761 1/20 0.50

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
SCHEMBL2647655 0.84 MAPK14 (0.89) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL1387860 0.82 KDM4E (0.83) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL4584994 0.81 ALOX5 (0.63) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL4552012 0.79 MAPK14 (0.67) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL6465619 0.79 MAPK13 (0.90) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL1388055 0.79 KDM4E (0.50) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL15676753 0.79 NPY5R (0.61) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL18041548 0.78 TGFBR1 (1.00) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL6469564 0.78 MAPK13 (0.78) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL2647720 0.78 MAPK13 (0.78) MAPK14MAPK13MAPK12MAPK11RAF1

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-1021173-A1 USE OF CSAID?TM COMPOUNDS FOR THE MANAGEMENT OF UTERINE CONTRACTIONS IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2000-07-26 EP disclosed
WO-1999018942-A1 USE OF CSAIDTM COMPOUNDS FOR THE MANAGEMENT OF UTERINE CONTRACTIONS IMPERIAL COLLEGE INNOVATIONS LTD. (GB) 1999-04-22 WO disclosed