SCHEMBL24344820

SCHEMBL24344820

COc1nc(N(C)C(=O)OC(C)(C)C)nc(OC)c1C

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.35
KCNQ3 O43525 1/20 0.34
KCNQ2 O43526 1/20 0.34
IRAK4 Q9NWZ3 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
SCHEMBL24344489 0.86 PAX8 (0.34) PAX8KCNQ3KCNQ2
SCHEMBL24344233 0.85 KCNQ3 (0.32) KCNQ3KCNQ2
SCHEMBL24344488 0.73 HSD17B10 (0.33) PAX8
SCHEMBL22509297 0.72 PAX8 (0.39) PAX8
SCHEMBL26978141 0.71 ALDH1A1 (0.36) KCNQ3KCNQ2
SCHEMBL24343977 0.71 KCNQ3 (0.32) KCNQ3KCNQ2
SCHEMBL17467163 0.70 PAX8 (0.38) PAX8IRAK4
SCHEMBL15587354 0.70 PAX8 (0.38) PAX8IRAK4
SCHEMBL24344487 0.69 ALDH1A1 (0.43)
SCHEMBL7999363 0.68 LMNA (0.48)

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
WO-2022076975-A1 5- AND 6-AZAINDOLE COMPOUNDS FOR INHIBITION OF BCR-ABL TYROSINE KINASES ENLIVEN THERAPEUTICS, INC. (US) 2022-04-14 WO disclosed