SCHEMBL20928247

SCHEMBL20928247

N#Cc1ccc2c3ccc(C#N)cc3n(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc(-n6c7cc(C#N)ccc7c7ccc(C#N)cc76)cc5-n5c6cc(C#N)ccc6c6ccc(C#N)cc65)n4)c(-n4c5cc(C#N)ccc5c5ccc(C#N)cc54)c3)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 9/20 0.39
ABCB1 P08183 4/20 0.39
CLK4 Q9HAZ1 3/20 0.38
JAK2 O60674 1/20 0.38
PRKD3 O94806 1/20 0.38
ABL1 P00519 1/20 0.38
EGFR P00533 1/20 0.38
ERBB2 P04626 1/20 0.38
LCK P06239 1/20 0.38
CDK1 P06493 1/20 0.38
CSF1R P07333 1/20 0.38
LYN P07948 1/20 0.38
RET P07949 1/20 0.38
KIT P10721 1/20 0.38
FGFR1 P11362 1/20 0.38
FER P16591 1/20 0.38
FLT1 P17948 1/20 0.38
FGFR3 P22607 1/20 0.38
KDR P35968 1/20 0.38
FLT3 P36888 1/20 0.38

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
SCHEMBL20928245 0.97 CYP1A2 (0.38) ABCG2ABCB1CLK4JAK2PRKD3
SCHEMBL20928249 0.91 ABCG2 (0.39) ABCG2ABCB1CLK4JAK2PRKD3
SCHEMBL20928243 0.90 CYP1A2 (0.38) ABCG2ABCB1CLK4JAK2PRKD3
SCHEMBL25913962 0.88 ABCG2 (0.38) ABCG2ABCB1CLK4ALDH1A1MEN1
SCHEMBL20114530 0.88 CYP1A2 (0.38) ABCG2ABCB1CLK4ALDH1A1MEN1
SCHEMBL20114545 0.88 CYP1A2 (0.38) ABCG2ABCB1CLK4ALDH1A1MEN1
SCHEMBL20937083 0.87 ABCG2 (0.41) ABCG2ABCB1CLK4JAK2PRKD3
SCHEMBL20923061 0.86 PGR (0.37) ABCG2ABCB1CLK4JAK2PRKD3
SCHEMBL20905038 0.86 KDM4E (0.38) ABCG2ABCB1CLK4ALDH1A1MEN1
SCHEMBL20996887 0.85 ABCG2 (0.42) ABCG2ABCB1CLK4JAK2PRKD3

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-2019076965-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-04-25 WO disclosed