SCHEMBL14440447

SCHEMBL14440447

COc1ccc2[nH]c3c(c4c(c5c6ccccc6n([C@@H]6C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]6O)c35)C(=O)NC4=O)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.49
PRKCQ Q04759 6/20 0.49
PDGFRB P09619 1/20 0.46
CDK4 P11802 4/20 0.43
CCND1 P24385 4/20 0.43
CCNE2 O96020 2/20 0.43
CCNE1 P24864 2/20 0.43
CDK2 P24941 2/20 0.43
CAMK2B Q13554 1/20 0.43
CAMK2G Q13555 1/20 0.43
CAMK2D Q13557 1/20 0.43
CAMK2A Q9UQM7 1/20 0.43
TOP1 P11387 6/20 0.40
PRKD3 O94806 3/20 0.40
PRKCG P05129 3/20 0.40
PRKCB P05771 3/20 0.40
PRKCA P17252 3/20 0.40
PRKCH P24723 3/20 0.40
PRKCI P41743 3/20 0.40
PRKCE Q02156 3/20 0.40

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
SCHEMBL8354310 1.00 ROCK2 (0.49) ROCK2PRKCQPDGFRBCDK4CCND1
SCHEMBL14440371 0.94 ROCK2 (0.49) ROCK2PRKCQPDGFRBCDK4CCND1
SCHEMBL14440456 0.91 PRKCQ (0.50) ROCK2PRKCQCDK4CCND1CCNE2
SCHEMBL14440383 0.91 PRKCQ (0.50) ROCK2PRKCQCDK4CCND1CCNE2
SCHEMBL14440424 0.91 PRKCQ (0.58) ROCK2PRKCQCDK4CCND1CCNE2
SCHEMBL14440448 0.87 ROCK2 (0.56) ROCK2PRKCQPDGFRBCDK4CCND1
SCHEMBL8355911 0.87 ROCK2 (0.56) ROCK2PRKCQPDGFRBCDK4CCND1
SCHEMBL8353847 0.87 ROCK2 (0.56) ROCK2PRKCQPDGFRBCDK4CCND1
SCHEMBL14440358 0.87 PRKCQ (0.50) ROCK2PRKCQCDK4CCND1CCNE2
SCHEMBL14440406 0.85 PRKCQ (0.50) ROCK2PRKCQCDK4CCND1CCNE2

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-7262215-B2 N-carbacycle monosubstituted indolocarbazoles as protein kinase inhibitors NAD AG (DE) 2007-08-28 US disclosed