SCHEMBL25753363

SCHEMBL25753363

CC(C)Nc1ccnc2[nH]ccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.50
ROCK1 Q13464 5/20 0.50
PRKCI P41743 4/20 0.50
PRKD3 O94806 3/20 0.50
PRKACA P17612 3/20 0.50
PRKCQ Q04759 3/20 0.50
CIT O14578 2/20 0.50
PRKCD Q05655 2/20 0.50
PKN2 Q16513 2/20 0.50
PRKD2 Q9BZL6 2/20 0.50
MAP4K4 O95819 2/20 0.50
CSNK1A1 P48729 2/20 0.50
CDK9 P50750 2/20 0.50
AXL P30530 1/20 0.50
PRKCB P05771 1/20 0.50
PRKCA P17252 1/20 0.50
CSNK2A2 P19784 1/20 0.50
MARK3 P27448 1/20 0.50
BMPR1A P36894 1/20 0.50
CLK1 P49759 1/20 0.50

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
SCHEMBL3093132 0.79 PRKCI (0.55) ROCK2ROCK1PRKCIPRKD3PRKACA
SCHEMBL858590 0.76 NUDT1 (0.59) ROCK2ROCK1PRKCIPRKD3PRKACA
SCHEMBL25754402 0.75 LATS1 (0.53) ROCK2ROCK1PRKCIPRKD3PRKACA
SCHEMBL857995 0.74 ROCK2 (0.50) ROCK2ROCK1PRKCIPRKD3PRKACA
SCHEMBL84365 0.74 PRKCI (0.53) ROCK2ROCK1PRKCIPRKD3PRKACA
SCHEMBL14620679 0.72 ROCK1 (0.51) ROCK2ROCK1PRKCIPRKD3PRKACA
SCHEMBL24492983 0.71 PRKCI (0.50) ROCK2ROCK1PRKCIPRKD3PRKACA
SCHEMBL8687438 0.71 CIT (0.59) ROCK2ROCK1PRKCIPRKD3PRKACA
SCHEMBL8688105 0.71 PRKCI (0.55) ROCK2ROCK1PRKCIPRKD3PRKACA
SCHEMBL1815838 0.71 HPGDS (0.55)

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-20230203484-A1 DOUBLE STRANDED OLIGONUCLEOTIDE COMPOSITIONS AND METHODS RELATING THERETO WAVE LIFE SCIENCES LTD. (SG) 2023-06-29 US disclosed