SCHEMBL19909044

SCHEMBL19909044

N#Cc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccncc2)cc1-n1c2ccccc2c2cc(C#N)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 2/20 0.40
PTGER4 P35408 2/20 0.37
MAPK14 Q16539 3/20 0.36
CYP11B2 P19099 3/20 0.36
CYP11B1 P15538 2/20 0.36
CYP17A1 P05093 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.35
CYP19A1 P11511 1/20 0.35
CSNK1A1 P48729 1/20 0.35
CSNK1D P48730 1/20 0.35
ROCK1 Q13464 2/20 0.35
ROCK2 O75116 1/20 0.35
SLC6A2 P23975 1/20 0.35
GSK3A P49840 2/20 0.34
GSK3B P49841 2/20 0.34
PKN1 Q16512 1/20 0.34
PKN2 Q16513 1/20 0.34
MAPK13 O15264 1/20 0.34
RAF1 P04049 1/20 0.34
MAPK12 P53778 1/20 0.34

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
SCHEMBL19909120 0.88 CYP11B2 (0.36) FLT3PTGER4MAPK14CYP11B2CYP11B1
SCHEMBL22454865 0.88 FLT3 (0.41) FLT3PTGER4MAPK14CYP11B2CYP11B1
SCHEMBL23912005 0.87 CYP11B2 (0.53) FLT3CYP11B2CYP11B1CYP17A1ABCG2
SCHEMBL24369946 0.87 FLT3 (0.39) FLT3PTGER4MAPK14CYP11B2CYP11B1
SCHEMBL19919542 0.86 PTGER4 (0.38) FLT3PTGER4MAPK14CYP11B2CSNK1A1
SCHEMBL24370065 0.84 CYP11B1 (0.39) FLT3PTGER4MAPK14CYP11B2CYP11B1
SCHEMBL24370066 0.84 FLT3 (0.41) FLT3PTGER4MAPK14CYP11B2CYP11B1
SCHEMBL22624283 0.84 PTGER4 (0.40) PTGER4
SCHEMBL19909037 0.84 MAPK14 (0.38) FLT3PTGER4MAPK14CYP11B2CYP11B1
SCHEMBL20937095 0.84 ABCG2 (0.41) FLT3PTGER4MAPK14CYP11B2CYP11B1

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
EP-3287451-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-02-28 EP disclosed