SCHEMBL16675638

SCHEMBL16675638

CC1(C)c2ccccc2-c2ccc(-n3c4ccc(N(c5ccccc5)c5ccccc5)cc4c4cc5c(cc43)c3cc(N(c4ccccc4)c4ccccc4)ccc3n5-c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.32
PGR P06401 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
SCHEMBL16675639 0.95 KDM4E (0.38) PGR
SCHEMBL17740656 0.91 KDM4E (0.33) PDK2
SCHEMBL16773070 0.91 PDK2 (0.33) PDK2
SCHEMBL15582977 0.91 PGR (0.31) PDK2PGR
SCHEMBL16773588 0.91 PGR (0.31) PDK2PGR
SCHEMBL14340245 0.91 PDK2 (0.36) PDK2PGR
SCHEMBL14340243 0.91 PDK2 (0.36) PDK2PGR
SCHEMBL31739 0.90 KDM4E (0.39) PDK2PGR
SCHEMBL16773566 0.90
SCHEMBL14849857 0.90 PGR (0.32) PGR

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-20150115205-A1 NOVEL ORGANIC ELECTROLUMINESCENCE COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICE CONTAINING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2015-04-30 US disclosed
US-20150115205-A1 NOVEL ORGANIC ELECTROLUMINESCENCE COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICE CONTAINING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2015-04-30 US disclosed