SCHEMBL21546695

SCHEMBL21546695

Cc1ccc2c3ccc(C)cc3n(-c3cc(C#N)cc(-n4c5cc(C)ccc5c5ccc(C)cc54)c3-c3cccc(C#N)c3)c2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 2/20 0.37
IDO1 P14902 1/20 0.36
F11 P03951 1/20 0.36
ELANE P08246 1/20 0.35
CNR2 P34972 1/20 0.35
BRD4 O60885 1/20 0.34
KDM4E B2RXH2 2/20 0.34
CYP1A2 P05177 2/20 0.34
HPGD P15428 2/20 0.34
TSHR P16473 2/20 0.34
MAPK1 P28482 2/20 0.34
HSD17B10 Q99714 2/20 0.34
TGFBR1 P36897 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C19 P33261 1/20 0.34
DYRK1A Q13627 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 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
SCHEMBL21546479 0.91 GRIA2 (0.39) CLK4KDM4ECYP1A2HPGDTSHR
SCHEMBL21546696 0.91 CLK4 (0.38) CLK4F11ELANECNR2BRD4
SCHEMBL21546655 0.89 CLK4 (0.41) CLK4IDO1BRD4TGFBR1EGLN2
SCHEMBL21414227 0.89 ALDH1A1 (0.39) KDM4EHPGDALDH1A1
SCHEMBL23098062 0.89 IDO1 (0.39) CLK4IDO1F11ELANEKDM4E
SCHEMBL21546985 0.89 ELANE (0.35) ELANEBRD4KDM4ECYP1A2HPGD
SCHEMBL21546878 0.88 MAT2A (0.42) CNR2TGFBR1
SCHEMBL21546746 0.88 MAP4K4 (0.40) CLK4IDO1CYP1A2CYP3A4ALDH1A1
SCHEMBL21546984 0.88 GRM5 (0.37) CLK4KDM4ECYP1A2HPGDTSHR
SCHEMBL21546943 0.88 TGFBR1 (0.34) CLK4IDO1F11CNR2CYP1A2

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-3478793-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-11-06 EP disclosed