SCHEMBL14440435

SCHEMBL14440435

O=C1NC(=O)c2c1c1c3cc(F)ccc3[nH]c1c1c2c2cc(F)ccc2n1C1C[C@H](O)[C@@H](O)[C@H]1O

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 11/20 0.63
CDK4 P11802 6/20 0.48
CCND1 P24385 6/20 0.48
CCNE2 O96020 4/20 0.48
CCNE1 P24864 4/20 0.48
CDK2 P24941 4/20 0.48
PRKACA P17612 2/20 0.48
PRKACG P22612 2/20 0.48
PRKACB P22694 2/20 0.48
PRKCQ Q04759 2/20 0.45
ROCK2 O75116 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

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
SCHEMBL14440418 0.90 TOP1 (0.63) TOP1PRKCQROCK2
SCHEMBL8354446 0.90 TOP1 (0.53) TOP1CDK4CCND1CCNE2CCNE1
SCHEMBL14440442 0.84 CDK4 (0.55) TOP1CDK4CCND1CCNE2CCNE1
SCHEMBL8352252 0.84 CDK4 (0.55) TOP1CDK4CCND1CCNE2CCNE1
SCHEMBL14440376 0.84 TOP1 (0.56) TOP1CDK4CCND1CCNE2CCNE1
SCHEMBL8353620 0.84 TOP1 (0.56) TOP1CDK4CCND1CCNE2CCNE1
SCHEMBL14440450 0.84 TOP1 (0.56) TOP1CDK4CCND1CCNE2CCNE1
SCHEMBL8354746 0.84 CDK4 (0.55) TOP1CDK4CCND1CCNE2CCNE1
SCHEMBL5666509 0.84 TOP1 (0.69) TOP1CDK4CCND1CCNE2CCNE1
SCHEMBL8350893 0.83 PRKCQ (0.63) CDK4CCND1CCNE2CCNE1CDK2

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