SCHEMBL19592109

SCHEMBL19592109

C=NNc1ccc(Nc2ccnc(-c3cccc(C(=O)NN4CCOCC4)c3)n2)cc1C

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 11/20 0.64
▸ ROCK1 Q13464 6/20 0.64
▸ LMNA P02545 1/20 0.44
▸ MAPK14 Q16539 1/20 0.40
▸ JAK2 O60674 1/20 0.39
▸ EGFR P00533 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ MAPK9 P45984 1/20 0.38
▸ MAPK10 P53779 1/20 0.38
▸ MTOR P42345 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
SCHEMBL19592079 0.89 ROCK2 (0.63) ROCK2ROCK1MAPK14JAK2EGFR
SCHEMBL19591992 0.86 ROCK2 (0.64) ROCK2ROCK1EGFR
SCHEMBL19592078 0.82 ROCK2 (0.66) ROCK2ROCK1
SCHEMBL23380752 0.82 ROCK2 (0.66) ROCK2ROCK1EGFR
SCHEMBL19592018 0.80 ROCK2 (0.63) ROCK2ROCK1EGFRMAPK9MAPK10
SCHEMBL17070954 0.78 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL18792356 0.71 ROCK2 (0.66) ROCK2ROCK1
SCHEMBL24943925 0.70 ROCK2 (0.67) ROCK2ROCK1
SCHEMBL24943344 0.68 ROCK2 (0.68) ROCK2ROCK1
SCHEMBL24943640 0.66 ROCK2 (0.57) ROCK2ROCK1

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-9815820-B2 Rho kinase inhibitors KADMON CORPORATION, LLC (US) 2017-11-14 — — US disclosed
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