SCHEMBL30278183

SCHEMBL30278183

Cn1cc(-c2[nH]c3cc(C4(CC(N)=O)CCCCC4)cc4c3c2C=NNC4=O)cn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.58
BMPR1B O00238 1/20 0.58
PLK4 O00444 1/20 0.58
CIT O14578 1/20 0.58
CHEK1 O14757 1/20 0.58
GAK O14976 1/20 0.58
EPHB6 O15197 1/20 0.58
RPS6KA4 O75676 1/20 0.58
LATS1 O95835 1/20 0.58
PAK4 O96013 1/20 0.58
CHEK2 O96017 1/20 0.58
ABL1 P00519 1/20 0.58
EGFR P00533 1/20 0.58
LCK P06239 1/20 0.58
FYN P06241 1/20 0.58
CDK1 P06493 1/20 0.58
CSF1R P07333 1/20 0.58
YES1 P07947 1/20 0.58
LYN P07948 1/20 0.58
RET P07949 1/20 0.58

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
SCHEMBL21055412 0.81 AURKA (0.69) AURKABMPR1BPLK4CITCHEK1
SCHEMBL4778155 0.77 FLT3 (0.61) AURKABMPR1BPLK4CITCHEK1
SCHEMBL13987435 0.76 FLT3 (0.60) AURKABMPR1BPLK4CITCHEK1
SCHEMBL13987478 0.75 AURKA (0.69) AURKABMPR1BPLK4CITCHEK1
SCHEMBL13987799 0.75 AURKA (0.69) AURKABMPR1BPLK4CITCHEK1
SCHEMBL20068249 0.75 AURKA (0.75) AURKABMPR1BPLK4CITCHEK1
SCHEMBL17470164 0.75 AURKA (0.75) AURKABMPR1BPLK4CITCHEK1
SCHEMBL14396960 0.75 AURKA (0.75) AURKABMPR1BPLK4CITCHEK1
SCHEMBL14502699 0.74 FLT3 (0.67) AURKABMPR1BPLK4CITCHEK1
SCHEMBL19438926 0.74 AURKA (0.61) AURKABMPR1BPLK4CITCHEK1

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-4396191-A1 COMPOUNDS USEFUL IN MODULATION OF AHR SIGNALLING JAGUAHR THERAPEUTICS PTE LTD (SG) 2024-07-10 EP disclosed
WO-2023033740-A9 COMPOUNDS USEFUL IN MODULATION OF AHR SIGNALLING JAGUAHR THERAPEUTICS PTE LTD (SG) 2023-12-28 WO disclosed
WO-2023033740-A1 COMPOUNDS USEFUL IN MODULATION OF AHR SIGNALLING JAGUAHR THERAPEUTICS PTE LTD (SG) 2023-03-09 WO disclosed