SCHEMBL14440329

SCHEMBL14440329

O=C1OC(=O)c2c1c1c3cc(Br)ccc3[nH]c1c1c2c2ccccc2n1C1C=C[C@@H](O)C1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 5/20 0.44
CDK4 P11802 3/20 0.43
CCND1 P24385 3/20 0.43
CCNB2 O95067 1/20 0.43
CCNE2 O96020 1/20 0.43
CDK1 P06493 1/20 0.43
CCNB1 P14635 1/20 0.43
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
CCNB3 Q8WWL7 1/20 0.43
PRKCA P17252 4/20 0.42
ROCK2 O75116 6/20 0.41
TOP1 P11387 5/20 0.41
CAMK2B Q13554 1/20 0.41
CAMK2G Q13555 1/20 0.41
CAMK2D Q13557 1/20 0.41
CAMK2A Q9UQM7 1/20 0.41

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
SCHEMBL8354170 0.93 PRKCQ (0.44) PRKCQCDK4CCND1CCNB2CCNE2
SCHEMBL8354981 0.91 CDK4 (0.55) PRKCQCDK4CCND1CCNB2CCNE2
SCHEMBL14440328 0.89 PRKCA (0.53) PRKCQCDK4CCND1CCNB2CCNE2
SCHEMBL14440333 0.84 CDK4 (0.55) PRKCQCDK4CCND1CCNB2CCNE2
SCHEMBL14440332 0.82 PRKCA (0.53) PRKCQCDK4CCND1CCNB2CCNE2
SCHEMBL14440428 0.81 PRKCQ (0.61) PRKCQCDK4CCND1CCNB2CCNE2
SCHEMBL8352935 0.81 PRKCQ (0.61) PRKCQCDK4CCND1CCNB2CCNE2
SCHEMBL8351539 0.81 PRKCQ (0.61) PRKCQCDK4CCND1CCNB2CCNE2
SCHEMBL8351770 0.79 PRKCA (0.62) PRKCQCDK4CCND1CCNE2CCNE1
SCHEMBL14440449 0.79 ROCK2 (0.56) PRKCQCDK4CCND1CCNE2CCNE1

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 2 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