SCHEMBL19592087

SCHEMBL19592087

N=Cc1cc(Nc2ccnc(-c3cccc(OCC(=O)N4CCOCC4)c3)n2)ccc1N

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 12/20 0.68
▸ ROCK1 Q13464 7/20 0.48
▸ FKBP1A P62942 1/20 0.44
▸ MAPT P10636 1/20 0.43
▸ EGFR P00533 1/20 0.42
▸ ITK Q08881 1/20 0.42
▸ SLC2A3 P11169 1/20 0.41
▸ JAK3 P52333 1/20 0.40
▸ BTK Q06187 1/20 0.40

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
SCHEMBL24862643 0.91 ROCK2 (0.57) ROCK2ROCK1SLC2A3
SCHEMBL24862663 0.85 ROCK2 (0.64) ROCK2ROCK1
SCHEMBL24862273 0.85 ROCK2 (0.55) ROCK2ROCK1MAPTEGFR
SCHEMBL24862319 0.83 ROCK2 (0.47) ROCK2ROCK1
SCHEMBL24353607 0.82 ROCK2 (0.67) ROCK2ROCK1SLC2A3
SCHEMBL24464157 0.82 ROCK2 (0.66) ROCK2ROCK1SLC2A3
SCHEMBL17038112 0.81 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL20661285 0.81 ROCK2 (0.67) ROCK2ROCK1EGFRJAK3
SCHEMBL17038101 0.81 ROCK2 (0.68) ROCK2ROCK1SLC2A3
SCHEMBL23380752 0.79 ROCK2 (0.66) ROCK2ROCK1FKBP1AMAPTEGFR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4116293-A2 RHO KINASE INHIBITORS Kadmon Corporation, LLC (US) 2023-01-11 — — EP disclosed
EP-2903618-B1 RHO KINASE INHIBITORS KADMON CORP LLC (US) 2022-06-01 — — EP disclosed
US-9815820-B2 Rho kinase inhibitors KADMON CORPORATION, LLC (US) 2017-11-14 — — US disclosed
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