SCHEMBL1997010

SCHEMBL1997010

CSCCNc1cc(-c2[nH]c3nccnc3c2-c2cccc(Cl)c2)ccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.42
CSNK2A1 P68400 2/20 0.39
MET P08581 2/20 0.38
MAPK13 O15264 2/20 0.38
MAPK12 P53778 2/20 0.38
MAPK11 Q15759 2/20 0.38
CDK1 P06493 2/20 0.38
CDK4 P11802 2/20 0.38
CCNB1 P14635 2/20 0.38
CCNA2 P20248 2/20 0.38
CCND1 P24385 2/20 0.38
CDK2 P24941 2/20 0.38
CDK7 P50613 2/20 0.38
CCNH P51946 2/20 0.38
CDK5 Q00535 2/20 0.38
CDK5R1 Q15078 2/20 0.38
NPC1 O15118 1/20 0.38
CCNT1 O60563 1/20 0.38
MAPT P10636 1/20 0.38
XBP1 P17861 1/20 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
SCHEMBL1998156 0.79 MET (0.46) MAPK14METMAPK13MAPK12MAPK11
SCHEMBL1833612 0.72 POLB (0.42) CSNK2A1CDK1CDK4CCNB1CCNA2
SCHEMBL1993559 0.69 MAPK14 (0.76) MAPK14MAPK13MAPK12MAPK11
SCHEMBL1996585 0.69 MAPK14 (0.60) MAPK14METMAPK13MAPK12MAPK11
SCHEMBL1994949 0.67 MAPK14 (0.72) MAPK14MAPK13MAPK12MAPK11CDK1
SCHEMBL2000094 0.67 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11
Hydrochloric Acid SCHEMBL6640716 0.67 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11CDK1
SCHEMBL1994561 0.64 MAPK14 (0.66) MAPK14MAPK13MAPK12MAPK11CDK1
SCHEMBL13379720 0.63 MAPK14 (0.45) MAPK14MAPK13MAPK12MAPK11CDK1
SCHEMBL17840562 0.63 TGFBR1 (0.63) MAPK14TGFBR1TGFBR2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2338890-A1 4,7-Diazaindole derivatives and their use as fungicides Bayer CropScience AG (DE) 2011-06-29 EP claimed
WO-2010046215-A2 DIAZA-INDOLE DERIVATIVES AND THEIR USE AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2010-04-29 WO claimed
EP-2338890-A1 4,7-Diazaindole derivatives and their use as fungicides Bayer CropScience AG (DE) 2011-06-29 EP disclosed
WO-2010046215-A2 DIAZA-INDOLE DERIVATIVES AND THEIR USE AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2010-04-29 WO disclosed