Sugi Predict

Sugi Predict / Compounds / SCHEMBL15468947

SCHEMBL15468947

SCHEMBL15468947

CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)c3cc(-c5ccc6c(c5)c5cc(N(c7ccc8c(c7)C(C)(C)c7ccccc7-8)c7ccc8c(c7)C(C)(C)c7ccccc7-8)ccc5n6-c5ccccc5)ccc3n4-c3ccccc3)cc21

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 2/20 0.33
▸ PGR P06401 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ L3MBTL1 Q9Y468 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
SCHEMBL10013274 0.98 PGR (0.33) PDK2PGRKDM4EATML3MBTL1
SCHEMBL22140548 0.97 PDK2 (0.33) PDK2PGRKDM4EATML3MBTL1
SCHEMBL9916273 0.96 PDK2 (0.34) PDK2PGRKDM4EATML3MBTL1
SCHEMBL15927223 0.96 PDK2 (0.34) PDK2PGRKDM4EATML3MBTL1
SCHEMBL21527134 0.96 PDK2 (0.34) PDK2PGRKDM4EATML3MBTL1
SCHEMBL21527223 0.96 PDK2 (0.34) PDK2PGRKDM4EATML3MBTL1
SCHEMBL14340243 0.95 PDK2 (0.36) PDK2PGRKDM4EATML3MBTL1
SCHEMBL14340245 0.95 PDK2 (0.36) PDK2PGRKDM4EATML3MBTL1
SCHEMBL12560014 0.95 PDK2 (0.31) PDK2
SCHEMBL13803236 0.95 KDM4E (0.38) PDK2PGRKDM4EATML3MBTL1

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
US-20140042411-A1 METHOD FOR PURIFYING ORGANIC MATERIAL, MATERIAL FOR ORGANIC ELECTRONICS, PHOTOELECTRIC CONVERSION DEVICE, OPTICAL SENSOR, IMAGING DEVICE, AND ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2014-02-13 — — US disclosed