SCHEMBL27809653

SCHEMBL27809653

COc1cccc([C@@H](C)NC(=O)Nc2ccc(-c3ccnc(C)c3)cc2)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 14/20 0.74
ROCK1 Q13464 13/20 0.74
PSEN1 P49768 5/20 0.64
PSEN2 P49810 5/20 0.64
APH1B Q8WW43 5/20 0.64
NCSTN Q92542 5/20 0.64
APH1A Q96BI3 5/20 0.64
PSENEN Q9NZ42 5/20 0.64
PRKG1 Q13976 3/20 0.59
CYP2C9 P11712 2/20 0.59
PRKACA P17612 2/20 0.59
CYP3A4 P08684 2/20 0.59
CYP2D6 P10635 2/20 0.59
PRKACG P22612 1/20 0.59
PRKACB P22694 1/20 0.59
AKT1 P31749 1/20 0.59
CHEK1 O14757 1/20 0.57
RPS6KA5 O75582 1/20 0.57
PRKCG P05129 1/20 0.57
CDK1 P06493 1/20 0.57

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
SCHEMBL12650367 1.00 ROCK2 (0.74) ROCK2ROCK1PSEN1PSEN2APH1B
SCHEMBL1492958 1.00 ROCK2 (0.74) ROCK2ROCK1PSEN1PSEN2APH1B
SCHEMBL12650393 0.90 ROCK2 (0.61) ROCK2ROCK1PSEN1PSEN2APH1B
SCHEMBL1492784 0.90 ROCK2 (0.61) ROCK2ROCK1PSEN1PSEN2APH1B
SCHEMBL1492754 0.89 PSEN1 (0.65) ROCK2ROCK1PSEN1PSEN2APH1B
SCHEMBL1492640 0.87 PSEN1 (0.72) ROCK2ROCK1PSEN1PSEN2APH1B
SCHEMBL7980383 0.87 PSEN1 (0.72) ROCK2ROCK1PSEN1PSEN2APH1B
SCHEMBL2183564 0.85 PSEN1 (0.86) ROCK2ROCK1PSEN1PSEN2APH1B
SCHEMBL3102020 0.85 ROCK1 (1.00) ROCK2ROCK1PRKG1CYP2C9PRKACA
SCHEMBL1492759 0.85 PSEN1 (0.58) ROCK2ROCK1PSEN1PSEN2APH1B

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
CN-102083794-A Urea compounds as gamma secretase modulators AMGEN INC 2011-06-01 CN claimed