SCHEMBL8354832

SCHEMBL8354832

COc1ccc2c(c1)c1c3c(c4c5ccccc5[nH]c4c1n2C1C=C[C@@H](O)C1)C(=O)NC3=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.56
CDK4 P11802 11/20 0.54
CCND1 P24385 11/20 0.54
CCNE1 P24864 5/20 0.54
CDK2 P24941 5/20 0.54
CCNE2 O96020 4/20 0.54
CAMK2B Q13554 1/20 0.54
CAMK2G Q13555 1/20 0.54
CAMK2D Q13557 1/20 0.54
CAMK2A Q9UQM7 1/20 0.54
PRKCQ Q04759 5/20 0.51
PDGFRB P09619 1/20 0.48
PRKACA P17612 2/20 0.45
PRKACG P22612 2/20 0.45
PRKACB P22694 2/20 0.45
PRKD3 O94806 3/20 0.45
PRKCG P05129 3/20 0.45
PRKCB P05771 3/20 0.45
PRKCA P17252 3/20 0.45
PRKCH P24723 3/20 0.45

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
SCHEMBL14440449 0.93 ROCK2 (0.56) ROCK2CDK4CCND1CCNE1CDK2
SCHEMBL8354373 0.90 PDGFRB (0.52) ROCK2CDK4CCND1CCNE1CDK2
SCHEMBL14440453 0.90 PDGFRB (0.52) ROCK2CDK4CCND1CCNE1CDK2
SCHEMBL14440333 0.88 CDK4 (0.55) ROCK2CDK4CCND1CCNE1CDK2
SCHEMBL8352935 0.87 PRKCQ (0.61) ROCK2CDK4CCND1CCNE1CDK2
SCHEMBL8351539 0.87 PRKCQ (0.61) ROCK2CDK4CCND1CCNE1CDK2
SCHEMBL14440428 0.87 PRKCQ (0.61) ROCK2CDK4CCND1CCNE1CDK2
SCHEMBL8354689 0.85 ROCK2 (0.56) ROCK2CDK4CCND1CCNE1CDK2
SCHEMBL14440370 0.84 ROCK2 (0.50) ROCK2CDK4CCND1CCNE1CDK2
SCHEMBL8353958 0.82 CDK4 (0.53) ROCK2CDK4CCND1CCNE1CDK2

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
US-7262215-B2 N-carbacycle monosubstituted indolocarbazoles as protein kinase inhibitors NAD AG (DE) 2007-08-28 US disclosed
US-7262215-B2 N-carbacycle monosubstituted indolocarbazoles as protein kinase inhibitors NAD AG (DE) 2007-08-28 US disclosed
WO-2003051887-A1 N-CARBACYCLE MONOSUBSTITUTED INDOLOCARBAZOLES AS PROTEIN KINASE INHIBITORS NAD AG (DE) 2003-06-26 WO disclosed