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SCHEMBL20617407

SCHEMBL20617407

Cn1c2ccccc2c2c1ccc1c3ccccc3n(-c3cc(C#N)c(-n4c5ccccc5c5ccc6c(c7ccccc7n6Cc6ccc7c(c6)c6ccc8c9ccccc9n(-c9cc(-c%10cc(C#N)cc(C(F)(F)F)c%10)c(-n%10c%11ccccc%11c%11ccc%12c%13ccccc%13n(C)c%12c%11%10)cc9C#N)c8c6n7C)c54)cc3-c3cc(C#N)cc(C(F)(F)F)c3)c12

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 1/20 0.32
▸ TP53 P04637 2/20 0.32
▸ POLB P06746 1/20 0.31
▸ RXRA P19793 1/20 0.30
▸ RXRG P48443 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
SCHEMBL21414210 0.93 RORC (0.32) TP53
SCHEMBL21546452 0.89 CFTR (0.35) TP53
SCHEMBL22822272 0.89 KIF11 (0.41) KIF11RXRARXRG
SCHEMBL21546836 0.86 PIK3R1 (0.32) TP53POLB
SCHEMBL22822273 0.85 KIF11 (0.41) KIF11POLBRXRARXRG
SCHEMBL22822547 0.84 KIF11 (0.41) KIF11RXRARXRG
SCHEMBL22761117 0.81 CFTR (0.33) TP53
SCHEMBL22822658 0.80 KIF11 (0.41) KIF11POLBRXRARXRG
SCHEMBL20617402 0.79 RXRA (0.33) RXRARXRG
SCHEMBL22564577 0.77 KIF11 (0.44) KIF11RXRARXRG

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-3642302-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2020-10-21 — — EP disclosed
WO-2019001838-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-01-03 — — WO disclosed
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