SCHEMBL10017809

SCHEMBL10017809

CCC(C)(C)N1Cc2c(c3c4ccccc4[nH]c3c3[nH]c4ccccc4c23)C1=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 8/20 0.64
PRKCA P17252 8/20 0.50
PRKCQ Q04759 5/20 0.50
PRKCD Q05655 5/20 0.50
PRKD3 O94806 4/20 0.50
PRKCG P05129 4/20 0.50
PRKCB P05771 4/20 0.50
PRKCH P24723 4/20 0.50
PRKCI P41743 4/20 0.50
PRKCE Q02156 4/20 0.50
PRKCZ Q05513 4/20 0.50
PRKD1 Q15139 4/20 0.50
CDK4 P11802 3/20 0.50
CCND1 P24385 3/20 0.50
CAMK2B Q13554 3/20 0.50
CAMK2G Q13555 3/20 0.50
CAMK2D Q13557 3/20 0.50
CAMK2A Q9UQM7 3/20 0.50
PRKACA P17612 2/20 0.50
PRKACG P22612 2/20 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
SCHEMBL14525823 0.76 ROCK2 (0.70) ROCK2PRKCAPRKCQPRKCDPRKD3
SCHEMBL8314778 0.73 NQO1 (0.66) ROCK2PRKCAPRKCQPRKCDPRKD3
SCHEMBL5438544 0.70 PRKCA (0.71) ROCK2PRKCAPRKCQPRKCDPRKD3
SCHEMBL14499964 0.70 ROCK2 (0.57) ROCK2PRKCAPRKCQPRKCDPRKD3
SCHEMBL8314407 0.69 ROCK2 (0.56) ROCK2PRKCAPRKCQPRKCDPRKD3
SCHEMBL15959912 0.68 NQO1 (0.58) ROCK2PRKCAPRKCQPRKCDPRKD3
SCHEMBL13169899 0.68 ROCK2 (0.54) ROCK2PRKCAPRKCQPRKCDPRKD3
SCHEMBL8317372 0.68 PRKCA (1.00) ROCK2PRKCAPRKCQPRKCDPRKD3
Staurosporinone SCHEMBL29374983 0.67 MAP3K11 (1.00) ROCK2PRKCAPRKCQPRKCDPRKD3
Staurosporinone SCHEMBL5440281 0.67 MAP3K11 (1.00) ROCK2PRKCAPRKCQPRKCDPRKD3

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-20120028309-A1 Method for producing indole derivative NATIONAL CHIAO TUNG UNIVERSITY (TW) 2012-02-02 US disclosed