SCHEMBL10696735

SCHEMBL10696735

N#Cc1nc(-c2ccc(Br)cc2)[nH]c1C#N

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 1/20 0.47
MAPK13 O15264 4/20 0.41
GCGR P47871 4/20 0.41
MAPK12 P53778 4/20 0.41
MAPK11 Q15759 4/20 0.41
MAPK14 Q16539 4/20 0.41
TNKS O95271 3/20 0.40
TNKS2 Q9H2K2 3/20 0.40
MAPT P10636 2/20 0.40
CYP1A1 P04798 1/20 0.40
CYP1B1 Q16678 1/20 0.40
NR1I3 Q14994 1/20 0.40
PTGES O14684 1/20 0.39
ADORA3 P0DMS8 1/20 0.37
ADORA2B P29275 1/20 0.37
TP53 P04637 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36

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
SCHEMBL18402405 0.84 RHEB (0.49) MAPK13GCGRMAPK12MAPK11MAPK14
SCHEMBL10695576 0.83 ERBB2 (0.47) ERBB2MAPK13GCGRMAPK12MAPK11
SCHEMBL28533254 0.83 MMP3 (0.41) MAPK13GCGRMAPK12MAPK11MAPK14
SCHEMBL10697291 0.83 ERBB2 (0.47) ERBB2TNKSTNKS2MAPTALDH1A1
SCHEMBL10696417 0.83 ALDH1A1 (0.44) TNKSTNKS2MAPTTP53ALDH1A1
SCHEMBL10697336 0.83 ERBB2 (0.47) ERBB2MAPK13GCGRMAPK12MAPK11
SCHEMBL7074324 0.82 ALDH1A1 (0.49) ERBB2MAPK13MAPK12MAPK11MAPK14
SCHEMBL10697175 0.82 DCUN1D1 (0.46) MAPK13GCGRMAPK12MAPK11MAPK14
SCHEMBL10694064 0.79 DGAT1 (0.49) MAPK13MAPK12MAPK11MAPK14TNKS
SCHEMBL10696383 0.79 HPGD (0.50) TNKSTNKS2MAPTTP53ALDH1A1

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
EP-0269238-A1 Imidazoles and their compositions for plant growth regulation MAY & BAKER LIMITED (GB) 1988-06-01 EP disclosed