SCHEMBL30554563

SCHEMBL30554563

Nc1cccc(-c2ccnc(Nc3cccc(C(F)(F)F)c3)n2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CAMK2D Q13557 1/20 0.69
▸ SYK P43405 3/20 0.65
▸ CLK1 P49759 1/20 0.65
▸ CLK2 P49760 1/20 0.65
▸ DYRK1A Q13627 1/20 0.65
▸ CLK4 Q9HAZ1 1/20 0.65
▸ DYRK1B Q9Y463 1/20 0.65
▸ ABL1 P00519 2/20 0.63
▸ BCR P11274 2/20 0.63
▸ SRC P12931 2/20 0.63
▸ PLK1 P53350 1/20 0.63
▸ EGFR P00533 1/20 0.63
▸ PRKACA P17612 1/20 0.63
▸ PRKACG P22612 1/20 0.63
▸ PRKACB P22694 1/20 0.63
▸ AURKA O14965 3/20 0.62
▸ MTOR P42345 1/20 0.60
▸ SMG1 Q96Q15 1/20 0.60
▸ CDK5 Q00535 2/20 0.60
▸ MEN1 O00255 1/20 0.60

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
SCHEMBL25336406 1.00 CAMK2D (0.69) CAMK2DSYKCLK1CLK2DYRK1A
SCHEMBL25337631 0.89 PLK1 (0.72) CAMK2DSYKCLK1CLK2DYRK1A
SCHEMBL30554478 0.89 PLK1 (0.72) CAMK2DSYKCLK1CLK2DYRK1A
SCHEMBL12801628 0.88 CAMK2D (0.69) CAMK2DSYKCLK1CLK2DYRK1A
SCHEMBL823915 0.87 CAMK2D (0.82) CAMK2DSYKABL1BCRSRC
SCHEMBL27119203 0.87 AURKA (0.63) CLK1CLK2DYRK1ACLK4DYRK1B
SCHEMBL27115596 0.86 SYK (0.65) SYKCLK1CLK2DYRK1ACLK4
SCHEMBL27116471 0.84 CLK1 (0.66) CLK1CLK2DYRK1ACLK4DYRK1B
SCHEMBL9014180 0.84 ABL1 (0.68) CLK1CLK2DYRK1ACLK4DYRK1B
SCHEMBL4901590 0.84 ABL1 (0.67) CLK1CLK2DYRK1ACLK4DYRK1B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4472953-A1 ARYL HYDROCARBON RECEPTOR AGONISTS AND USES THEREOF Nexys Therapeutics, Inc. (US) 2024-12-11 — — EP disclosed
CN-118891251-A Aryl hydrocarbon receptor agonists and uses thereof 奈可萨斯医药有限公司 2024-11-01 — — CN disclosed
WO-2023150197-A1 ARYL HYDROCARBON RECEPTOR AGONISTS AND USES THEREOF NEXYS THERAPEUTICS, INC. (US) 2023-08-10 — — WO disclosed
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