SCHEMBL13511797

SCHEMBL13511797

Cn1c2cc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)ccc2c2c3ccccc3c3c4ccc(N(c5ccccc5)c5ccc(-c6ccc7c(c6)C(C)(C)C6=C7CCC=C6)cc5)cc4[nH]c3c21

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 2/20 0.32
▸ CCND1 P24385 2/20 0.32
▸ CAMK2B Q13554 1/20 0.32
▸ CAMK2G Q13555 1/20 0.32
▸ CAMK2D Q13557 1/20 0.32
▸ CAMK2A Q9UQM7 1/20 0.32
▸ CCNE2 O96020 1/20 0.31
▸ CCNE1 P24864 1/20 0.31
▸ CDK2 P24941 1/20 0.31

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
SCHEMBL13511426 0.82 CDK4 (0.33) CDK4CCND1CAMK2BCAMK2GCAMK2D
SCHEMBL13507974 0.80 LIMK1 (0.34) —
SCHEMBL14237987 0.79 PDK2 (0.34) —
SCHEMBL23981392 0.77 PDK2 (0.32) —
SCHEMBL26184395 0.77 PDK2 (0.31) —
SCHEMBL13507031 0.76 RXRA (0.33) —
SCHEMBL13650977 0.76 — —
SCHEMBL24135825 0.76 PDK2 (0.31) —
SCHEMBL13508015 0.75 PDK2 (0.33) —
SCHEMBL13650981 0.75 PDK2 (0.32) —

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2145936-A2 Fluorene and pyrene derivatives and organic electroluminescent device using the same Gracel Display Inc. (KR) 2010-01-20 — — EP disclosed
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