SCHEMBL20114430

SCHEMBL20114430

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)Sc6ccccc6N7c6ccc7ccccc7c6)ccc54)c3)n2)cc1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.33
MAPK9 P45984 1/20 0.30
MAPK10 P53779 1/20 0.30

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
SCHEMBL20114825 0.94 ATM (0.33)
SCHEMBL20114433 0.94 BCHE (0.34) BCHE
SCHEMBL20114152 0.93 HDAC6 (0.33)
SCHEMBL20114050 0.93 KDM4E (0.33) BCHE
SCHEMBL20114242 0.92 BCHE (0.35) BCHE
SCHEMBL20114178 0.92 KDM4E (0.33)
SCHEMBL20114443 0.91 BCHE (0.36) BCHEMAPK9MAPK10
SCHEMBL20114428 0.90 KDM4E (0.37) BCHE
SCHEMBL20114441 0.90 KDM4E (0.38) BCHE
SCHEMBL20114055 0.90 BCHE (0.36) BCHEMAPK9MAPK10

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-2018080067-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE INCLUDING SAME 주식회사 두산 2018-05-03 WO disclosed