SCHEMBL30554560

SCHEMBL30554560

Nc1cc(Cl)cc(-c2ccnc(Nc3ccc(C(F)(F)F)cc3)n2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 2/20 0.53
SYK P43405 1/20 0.53
CAMK2D Q13557 1/20 0.52
SCN9A Q15858 2/20 0.51
KCNH2 Q12809 1/20 0.51
CDK2 P24941 2/20 0.50
PIK3CA P42336 2/20 0.48
PIK3CB P42338 2/20 0.48
PIK3CG P48736 2/20 0.48
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
CDK5 Q00535 1/20 0.47
KMT2A Q03164 1/20 0.47
CDK5R1 Q15078 1/20 0.47
IKBKB O14920 4/20 0.47
CHUK O15111 1/20 0.47
ABL1 P00519 1/20 0.46
BCR P11274 1/20 0.46
SRC P12931 1/20 0.46

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
SCHEMBL25337250 1.00 PLK1 (0.53) PLK1SYKCAMK2DSCN9AKCNH2
SCHEMBL25339219 0.92 PLK1 (0.59) PLK1SYKSCN9AKCNH2CDK2
SCHEMBL30554620 0.92 PLK1 (0.59) PLK1SYKSCN9AKCNH2CDK2
SCHEMBL27445382 0.84 PLK1 (0.56) PLK1CAMK2DSCN9AKCNH2CDK2
SCHEMBL2946515 0.83 PLK1 (0.77) PLK1SYKCAMK2DCDK2PIK3CA
SCHEMBL25337631 0.83 PLK1 (0.72) PLK1SYKCAMK2DSCN9AKCNH2
SCHEMBL30554478 0.83 PLK1 (0.72) PLK1SYKCAMK2DSCN9AKCNH2
SCHEMBL25336685 0.83 IKBKB (0.63) PLK1SYKCAMK2DSCN9AKCNH2
SCHEMBL31119043 0.83 IKBKB (0.63) PLK1SYKCAMK2DSCN9AKCNH2
SCHEMBL31118851 0.81 PIK3CA (0.55) PLK1SYKCAMK2DSCN9AKCNH2

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