SCHEMBL9464658

SCHEMBL9464658

C1=CN=C(n2cnc3ccccc32)[N]1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.55
POLB P06746 1/20 0.50
FGFR1 P11362 4/20 0.49
ROCK1 Q13464 1/20 0.44
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL2623741 0.74 HTT (0.58) HTTPOLBFGFR1ROCK1MKNK1
SCHEMBL3417306 0.72 HTT (0.73) HTTPOLBFGFR1ROCK1MKNK1
SCHEMBL30402227 0.72 HTT (0.88) HTTPOLBFGFR1
SCHEMBL3419279 0.72 HTT (0.88) HTTPOLBFGFR1
SCHEMBL13052913 0.71 HTT (0.77) HTTPOLBFGFR1
Benzene SCHEMBL14876970 0.71 HTT (1.00) HTTFGFR1
SCHEMBL9025863 0.71 PIK3CB (0.68) HTTPOLBFGFR1ROCK1MKNK1
SCHEMBL157265 0.71 HTT (1.00) HTTFGFR1
SCHEMBL9465241 0.70 HTT (0.53) HTTPOLBFGFR1ROCK1MKNK1
SCHEMBL467858 0.69 HTT (0.96) HTTFGFR1

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
US-5246914-A Fungicides and plant growth regulators BASF AKTIENGESELLSCHAFT (DE) 1993-09-21 US disclosed