SCHEMBL905098

SCHEMBL905098

CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cc(Br)cc(N(c4ccccc4)c4ccc5ccccc5c4)c3)cc21

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.35
CYP2A6 P11509 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
SCHEMBL904944 0.93 PDK2 (0.39) PDK2
SCHEMBL904564 0.93 PDK2 (0.39) PDK2
SCHEMBL15306335 0.91 PDK2 (0.40) PDK2CYP2A6
SCHEMBL2609913 0.90 CYP2A6 (0.38) PDK2CYP2A6
SCHEMBL18090335 0.90 PDK2 (0.39) PDK2
SCHEMBL23660582 0.89 PDK2 (0.37) PDK2CYP2A6
SCHEMBL29508630 0.89 PDK2 (0.37) PDK2CYP2A6
SCHEMBL18090472 0.89 PDK2 (0.38) PDK2
SCHEMBL14340230 0.89 PDK2 (0.42) PDK2
SCHEMBL10053406 0.88 PDK2 (0.36) PDK2

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
WO-2012043996-A2 COMPOUND IN WHICH AMINE DERIVATIVE IS SUBSTITUTED WITH FLUORENE, ORGANIC ELECTRONIC DEVICE USING SAME, AND TERMINAL THEREOF 덕산하이메탈(주) (KR) 2012-04-05 WO disclosed