SCHEMBL22137221

SCHEMBL22137221

CC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(C#N)cc2)cc1-c1nc(-c2ccccc2)nc(-c2cc(-c3ccc(C#N)cc3)ccc2-n2c3ccccc3c3cc(C(C)(C)C)ccc32)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.40
ABCG2 Q9UNQ0 13/20 0.38
ABCB1 P08183 7/20 0.38
RORC P51449 1/20 0.37
PTGER4 P35408 1/20 0.37
ABCC1 P33527 3/20 0.35
KDM1A O60341 1/20 0.35
SLC22A12 Q96S37 1/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CLK4 Q9HAZ1 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
SCHEMBL27015801 0.98 KIF11 (0.38) KIF11ABCG2ABCB1RORCPTGER4
SCHEMBL21364350 0.98 KIF11 (0.38) KIF11ABCG2ABCB1RORCPTGER4
SCHEMBL23965911 0.97 KIF11 (0.40) KIF11ABCG2ABCB1RORCPTGER4
SCHEMBL22137244 0.97 KIF11 (0.42) KIF11ABCG2ABCB1ABCC1KDM1A
SCHEMBL21364318 0.96 KIF11 (0.40) KIF11ABCG2ABCB1RORCPTGER4
SCHEMBL27015950 0.95 PTGER4 (0.36) KIF11ABCG2ABCB1RORCPTGER4
SCHEMBL21364320 0.95 KIF11 (0.40) KIF11ABCG2ABCB1ABCC1KDM1A
SCHEMBL27015813 0.95 KIF11 (0.40) KIF11ABCG2ABCB1PTGER4ABCC1
SCHEMBL27016329 0.95 KIF11 (0.36) KIF11ABCG2ABCB1RORCPTGER4
SCHEMBL23965912 0.94 KIF11 (0.43) KIF11ABCG2ABCB1ABCC1KDM1A

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-3670507-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2020-06-24 EP disclosed