SCHEMBL8354446

SCHEMBL8354446

O=C1OC(=O)c2c1c1c3cc(F)ccc3[nH]c1c1c2c2cc(F)ccc2n1C1C[C@H](O)[C@@H](O)[C@H]1O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 11/20 0.53
CDK4 P11802 3/20 0.40
CCND1 P24385 3/20 0.40
CCNE2 O96020 1/20 0.40
PRKACA P17612 1/20 0.40
PRKACG P22612 1/20 0.40
PRKACB P22694 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
PRKCQ Q04759 2/20 0.39
ROCK2 O75116 3/20 0.38
PRKCA P17252 2/20 0.38
MAP3K5 Q99683 1/20 0.38
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37

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
SCHEMBL14440435 0.90 TOP1 (0.63) TOP1CDK4CCND1CCNE2PRKACA
SCHEMBL14440418 0.80 TOP1 (0.63) TOP1PRKCQROCK2PRKCAMAP3K5
SCHEMBL14440433 0.76 TOP1 (0.46) TOP1CDK4CCND1CCNE2PRKACA
SCHEMBL14440442 0.76 CDK4 (0.55) TOP1CDK4CCND1CCNE2PRKACA
SCHEMBL14440450 0.76 TOP1 (0.56) TOP1CDK4CCND1CCNE2PRKACA
SCHEMBL8352252 0.76 CDK4 (0.55) TOP1CDK4CCND1CCNE2PRKACA
SCHEMBL8354746 0.76 CDK4 (0.55) TOP1CDK4CCND1CCNE2PRKACA
SCHEMBL8353620 0.76 TOP1 (0.56) TOP1CDK4CCND1CCNE2PRKACA
SCHEMBL14440376 0.76 TOP1 (0.56) TOP1CDK4CCND1CCNE2PRKACA
SCHEMBL5666509 0.76 TOP1 (0.69) TOP1CDK4CCND1CCNE2CCNE1

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