SCHEMBL14440433

SCHEMBL14440433

CC(=O)O[C@H]1CC(n2c3ccc(F)cc3c3c4c(c5c6cc(F)ccc6[nH]c5c32)C(=O)N(C)C4=O)[C@H](O)[C@@H]1O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 8/20 0.46
PRKCA P17252 5/20 0.43
CDK4 P11802 3/20 0.38
CCND1 P24385 3/20 0.38
ROCK2 O75116 5/20 0.36
MAP3K5 Q99683 2/20 0.36
PRKCQ Q04759 1/20 0.36
CCNE2 O96020 2/20 0.35
CCNE1 P24864 2/20 0.35
CDK2 P24941 2/20 0.35
PRKACA P17612 1/20 0.35
PRKACG P22612 1/20 0.35
PRKACB P22694 1/20 0.35

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
SCHEMBL14440434 0.84 TOP1 (0.44) TOP1PRKCACDK4CCND1ROCK2
SCHEMBL14440432 0.80 TOP1 (0.49) TOP1PRKCACDK4CCND1ROCK2
SCHEMBL8354092 0.78 PRKCA (0.50) PRKCACDK4CCND1ROCK2MAP3K5
SCHEMBL14440435 0.77 TOP1 (0.63) TOP1CDK4CCND1ROCK2PRKCQ
SCHEMBL8354446 0.76 TOP1 (0.53) TOP1PRKCACDK4CCND1ROCK2
SCHEMBL8354934 0.76 ROCK2 (0.59) PRKCACDK4CCND1ROCK2PRKCQ
SCHEMBL8353621 0.72 PRKCA (0.65) PRKCACDK4CCND1ROCK2PRKCQ
SCHEMBL8354004 0.72 TOP1 (0.41) TOP1CDK4CCND1ROCK2PRKCQ
SCHEMBL14440336 0.71 PRKCA (0.58) PRKCACDK4CCND1ROCK2PRKCQ
SCHEMBL14440414 0.69 PRKCA (0.46) PRKCACDK4CCND1ROCK2PRKCQ

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