SCHEMBL19591992

SCHEMBL19591992

C=NNc1ccc(Nc2ccnc(-c3cccc(C(=O)NC4CCOCC4)c3)n2)cc1C

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 13/20 0.64
▸ ROCK1 Q13464 9/20 0.64
▸ ATR Q13535 1/20 0.44
▸ DHODH Q02127 1/20 0.44
▸ CCNE1 P24864 4/20 0.43
▸ CDK2 P24941 4/20 0.43
▸ EGFR P00533 1/20 0.41

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
SCHEMBL19592078 0.90 ROCK2 (0.66) ROCK2ROCK1ATRDHODHCCNE1
SCHEMBL19592109 0.86 ROCK2 (0.64) ROCK2ROCK1EGFR
SCHEMBL19592079 0.84 ROCK2 (0.63) ROCK2ROCK1ATRDHODHCDK2
SCHEMBL19592018 0.80 ROCK2 (0.63) ROCK2ROCK1EGFR
SCHEMBL18792356 0.79 ROCK2 (0.66) ROCK2ROCK1
SCHEMBL17038114 0.78 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL24464193 0.77 ROCK2 (0.66) ROCK2ROCK1ATRCCNE1CDK2
SCHEMBL23380752 0.77 ROCK2 (0.66) ROCK2ROCK1EGFR
SCHEMBL18792298 0.71 ROCK2 (0.68) ROCK2ROCK1
SCHEMBL17040778 0.69 ROCK2 (1.00) 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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