SCHEMBL3364905

SCHEMBL3364905

CN(C)C1CCN(c2cc(Nc3ccc(Sc4ccncc4)c(F)c3)nc(N)n2)C1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.59
KIT P10721 2/20 0.40
FLT3 P36888 2/20 0.40
TNIK Q9UKE5 1/20 0.38
HRH3 Q9Y5N1 2/20 0.37
HRH4 Q9H3N8 3/20 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
SCHEMBL3366157 0.87 ROCK2 (0.60) ROCK2HRH3HRH4
SCHEMBL720101 0.82 ROCK2 (0.63) ROCK2HRH4
SCHEMBL3364521 0.81 ROCK2 (0.59) ROCK2HRH4
SCHEMBL4390841 0.81 HRH3 (0.45) HRH3HRH4
SCHEMBL4401465 0.81 HRH3 (0.45) HRH3HRH4
SCHEMBL3365177 0.79 ROCK2 (0.61) ROCK2
SCHEMBL13115584 0.78 ROCK1 (0.57) ROCK2HRH4
SCHEMBL4396306 0.78 HRH4 (0.46) HRH3HRH4
SCHEMBL4402301 0.77 HRH4 (0.50) HRH3HRH4
SCHEMBL4393530 0.77 HRH4 (0.50) HRH3HRH4

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-1515965-B1 PHENYLAMINOPYRIMIDINES AND THEIR USE AS RHO-KINASE INHIBITORS BAYER SCHERING PHARMA AG (DE) 2010-10-06 EP disclosed
EP-1515965-B1 PHENYLAMINOPYRIMIDINES AND THEIR USE AS RHO-KINASE INHIBITORS BAYER SCHERING PHARMA AG (DE) 2010-10-06 EP disclosed