SCHEMBL9968178

SCHEMBL9968178

c1ccc(-n2c3cnccc3c3cc([Si](c4ccccc4)(c4ccccc4)c4cc5c6ccncc6n(-c6ccccc6)c5cn4)ncc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 5/20 0.44
CDK6 Q00534 5/20 0.44
DYRK1A Q13627 3/20 0.38
KCNH2 Q12809 3/20 0.38
GSK3B P49841 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
REN P00797 4/20 0.36
FGFR1 P11362 1/20 0.35
AOC3 Q16853 2/20 0.34
KDM4C Q9H3R0 1/20 0.33

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
SCHEMBL9968055 0.92 CDK4 (0.49) CDK4CDK6DYRK1AKCNH2GSK3B
SCHEMBL17463360 0.91 CDK4 (0.41) CDK4CDK6DYRK1AKCNH2GSK3B
SCHEMBL18357432 0.81 CDK4 (0.49) CDK4CDK6DYRK1AKCNH2GSK3B
SCHEMBL15762300 0.80 CDK4 (0.43) CDK4CDK6DYRK1AKCNH2GSK3B
SCHEMBL17463354 0.79 L3MBTL1 (0.46) KDM4EATML3MBTL1
SCHEMBL17463351 0.78 CDK4 (0.40) CDK4CDK6DYRK1AKCNH2GSK3B
SCHEMBL262027 0.78 CDK4 (0.43) CDK4CDK6DYRK1AKCNH2GSK3B
SCHEMBL24988438 0.77 KDM4E (0.44) CDK4CDK6DYRK1AKCNH2GSK3B
SCHEMBL15762298 0.77 CDK4 (0.39) CDK4CDK6DYRK1AKCNH2GSK3B
SCHEMBL19837794 0.77 KDM4E (0.50) CDK4CDK6DYRK1AKCNH2KDM4E

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-20120153817-A1 ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2012-06-21 US disclosed
US-20120153817-A1 ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2012-06-21 US disclosed