SCHEMBL22268552

SCHEMBL22268552

Cc1cc(C)nc(-c2ccc(C#N)cc2-n2c3cc(-c4ccc(C#N)cc4C#N)ccc3c3ccc(-c4ccc(C#N)cc4C#N)cc32)n1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.36
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
ABCG2 Q9UNQ0 3/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
FFAR4 Q5NUL3 1/20 0.32
SCARB1 Q8WTV0 1/20 0.32
CHEK1 O14757 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA2 P47869 1/20 0.31
GRM5 P41594 2/20 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
SCHEMBL22268551 0.95 STS (0.35) STSABCG2FFAR4GABRA1GABRG2
SCHEMBL22563536 0.94 STS (0.34) STSCYP11B1CYP11B2ABCG2PRMT5
SCHEMBL22563379 0.93 STS (0.36) STSCYP11B1CYP11B2ABCG2PRMT5
SCHEMBL22563522 0.91 STS (0.34) STSCYP11B1CYP11B2ABCG2PRMT5
SCHEMBL20156168 0.91 STS (0.36) STSCYP11B1CYP11B2PRMT5WDR77
SCHEMBL23487696 0.90 STS (0.34) STSABCG2FFAR4GABRA1GABRG2
SCHEMBL22268550 0.90 CHEK1 (0.40) CYP11B1CYP11B2ABCG2CHEK1
SCHEMBL23487300 0.89 STS (0.35) STSABCG2FFAR4GABRA1GABRG2
SCHEMBL22563387 0.88 STS (0.34) STSCYP11B1CYP11B2ABCG2PRMT5
SCHEMBL22268469 0.88 CHEK1 (0.36) ABCG2CHEK1

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-3392247-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2020-07-29 EP disclosed