SCHEMBL21573537

SCHEMBL21573537

C/C=C\C1=C(/C=C(\C)CC)CN(c2nccc(Nc3ccc(N)c(C=N)c3)n2)C1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 18/20 0.35
ROCK1 Q13464 8/20 0.33
CDC7 O00311 1/20 0.32
TERT O14746 1/20 0.32
DOT1L Q8TEK3 1/20 0.32

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
SCHEMBL21573654 0.72 ROCK2 (0.60) ROCK2ROCK1
SCHEMBL21573532 0.72 ROCK2 (0.60) ROCK2ROCK1
SCHEMBL21573606 0.72 ROCK2 (0.65) ROCK2ROCK1
SCHEMBL21573609 0.70 ROCK2 (0.62) ROCK2ROCK1
SCHEMBL21573569 0.70 ROCK2 (0.64) ROCK2ROCK1
SCHEMBL20783917 0.69 ROCK2 (0.63) ROCK2ROCK1
SCHEMBL21573645 0.69 ROCK2 (0.62) ROCK2ROCK1
SCHEMBL21573527 0.68 ROCK2 (0.64) ROCK2ROCK1
SCHEMBL20784173 0.66 ROCK2 (0.65) ROCK2ROCK1
SCHEMBL21573627 0.66 ROCK1 (0.44) ROCK2ROCK1CDC7TERTDOT1L

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
EP-3055301-B1 (2-(5-ISOINDOLIN-2-YL)PYRIMIDIN-4-YL)-AMINE DERIVATIVES AS RHO KINASE INHIBITORS FOR TREATING AUTOIMMUNE DISEASES KADMON CORP LLC (US) 2019-11-20 EP disclosed