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SCHEMBL21546900

SCHEMBL21546900

Cc1ccccc1-c1ccc2c(c1)c1cc(-c3ccccc3C)ccc1n2-c1ccc(-c2cccc(C#N)c2)c(-n2c3ccc(-c4ccccc4C)cc3c3cc(-c4cc(-c5ccc(-c6ccc7c8ccc(-c9ccccc9C)cc8n(-c8ccc(-c9cccc(C#N)c9)c(-n9c%10cc(-c%11ccccc%11C)ccc%10c%10ccc(-c%11ccccc%11C)cc%109)c8C#N)c7c6)c(C)c5)ccc4C)ccc32)c1C#N

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 2/20 0.32
▸ AR P10275 2/20 0.32
▸ PDK2 Q15119 1/20 0.32
▸ BRD4 O60885 1/20 0.31
▸ CHEK1 O14757 1/20 0.31
▸ ADRA2C P18825 1/20 0.30

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
SCHEMBL21546901 0.90 ADRA2C (0.34) PGRARPDK2BRD4CHEK1
SCHEMBL21546911 0.90 ADRA2C (0.34) PGRARPDK2BRD4CHEK1
SCHEMBL22761144 0.85 ELANE (0.34) PGRARBRD4CHEK1ADRA2C
SCHEMBL22761168 0.84 ELANE (0.34) PGRARBRD4CHEK1ADRA2C
SCHEMBL22760693 0.84 CHEK1 (0.37) PGRPDK2BRD4CHEK1ADRA2C
SCHEMBL22760699 0.84 CHEK1 (0.38) PGRARPDK2BRD4CHEK1
SCHEMBL22760695 0.84 MAP4K4 (0.38) PGRPDK2BRD4CHEK1ADRA2C
SCHEMBL21546513 0.83 CHEK1 (0.38) PGRPDK2CHEK1ADRA2C
SCHEMBL21546514 0.83 CHEK1 (0.38) PGRPDK2CHEK1ADRA2C
SCHEMBL22760797 0.82 ELANE (0.37) PGRARBRD4CHEK1

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