SCHEMBL14440367

SCHEMBL14440367

Nc1ccc2[nH]c3c(c4c(c5c6cc(N)ccc6n(C6C=C[C@@H](O)C6)c35)C(=O)NC4=O)c2c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 11/20 0.49
PRKCQ Q04759 2/20 0.45
ROCK2 O75116 4/20 0.41
CDK4 P11802 3/20 0.39
CCND1 P24385 3/20 0.39
CCNE2 O96020 2/20 0.39
CCNE1 P24864 2/20 0.39
CDK2 P24941 2/20 0.39
PRKACA P17612 1/20 0.39
PRKACG P22612 1/20 0.39
PRKACB P22694 1/20 0.39
CHEK1 O14757 1/20 0.38
WEE1 P30291 1/20 0.38
CCNB2 O95067 1/20 0.38
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38
CCNB3 Q8WWL7 1/20 0.38

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
SCHEMBL14440365 0.85 TOP1 (0.46) TOP1PRKCQROCK2CDK4CCND1
SCHEMBL14440333 0.83 CDK4 (0.55) PRKCQROCK2CDK4CCND1CCNE2
SCHEMBL8354981 0.83 CDK4 (0.55) TOP1PRKCQROCK2CDK4CCND1
SCHEMBL8354373 0.83 PDGFRB (0.52) TOP1PRKCQROCK2CDK4CCND1
SCHEMBL14440453 0.83 PDGFRB (0.52) TOP1PRKCQROCK2CDK4CCND1
SCHEMBL8352935 0.82 PRKCQ (0.61) PRKCQROCK2CDK4CCND1CCNE2
SCHEMBL8351539 0.82 PRKCQ (0.61) PRKCQROCK2CDK4CCND1CCNE2
SCHEMBL14440428 0.82 PRKCQ (0.61) PRKCQROCK2CDK4CCND1CCNE2
SCHEMBL14440449 0.81 ROCK2 (0.56) PRKCQROCK2CDK4CCND1CCNE2
SCHEMBL8354832 0.81 ROCK2 (0.56) PRKCQROCK2CDK4CCND1CCNE2

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