SCHEMBL20791973

SCHEMBL20791973

CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(C#N)cc1-c1ccc(C#N)cc1-n1c2ccc(C(C)(C)C)cc2c2cc(C(C)(C)C)ccc21

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.41
CSNK1D P48730 6/20 0.38
CSNK1G2 P78368 5/20 0.38
CASP3 P42574 1/20 0.38
CSNK1A1 P48729 1/20 0.36
GSK3B P49841 1/20 0.36
CCR9 P51686 1/20 0.35
CYP19A1 P11511 2/20 0.33
NR1I2 O75469 1/20 0.33
HTR1D P28221 1/20 0.32
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
PGGT1B P53609 1/20 0.32
CYP11B2 P19099 1/20 0.32
KDM1A O60341 1/20 0.31
EPHX2 P34913 1/20 0.31
RORC P51449 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
SCHEMBL18361007 0.94 KIF11 (0.45) KIF11CSNK1DCSNK1G2CASP3CSNK1A1
SCHEMBL21399268 0.91 KIF11 (0.36) KIF11CSNK1DCSNK1G2CASP3CSNK1A1
SCHEMBL21399759 0.91 KIF11 (0.36) KIF11CSNK1DCSNK1G2CSNK1A1GSK3B
SCHEMBL18361182 0.89 KIF11 (0.47) KIF11CSNK1DCSNK1G2CASP3CSNK1A1
SCHEMBL28574243 0.88 KIF11 (0.50) KIF11CSNK1DCSNK1G2CSNK1A1GSK3B
SCHEMBL21758704 0.87 SLC22A12 (0.38) KIF11CSNK1DCSNK1G2CSNK1A1GSK3B
SCHEMBL21399503 0.86 KIF11 (0.39) KIF11RORC
SCHEMBL21399686 0.86 KIF11 (0.39) KIF11RORC
SCHEMBL28367118 0.86 KIF11 (0.41) KIF11CSNK1DCSNK1G2CASP3CSNK1A1
SCHEMBL22985586 0.85 KIF11 (0.37) KIF11CSNK1DCSNK1G2CYP11B2KDM1A

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
EP-3672940-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO LTD (KR) 2023-02-22 EP disclosed
WO-2019038376-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-02-28 WO disclosed