SCHEMBL24344190

SCHEMBL24344190

COc1cc2[nH]ncc2cc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.52
TRPA1 O75762 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.44
TLR8 Q9NR97 1/20 0.43
MKNK1 Q9BUB5 3/20 0.41
EGFR P00533 2/20 0.36
CHEK1 O14757 1/20 0.36
MAOB P27338 5/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.35
MAOA P21397 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL15288219 0.94 AXL (0.49) AXLTRPA1TRPM8TLR8MKNK1
SCHEMBL20517030 0.82 TRPA1 (0.40) AXLTRPA1TRPM8CHEK1RAB9A
SCHEMBL29981187 0.80 TRPA1 (0.41) AXLTRPA1TRPM8MKNK1CHEK1
SCHEMBL25278627 0.80 TRPA1 (0.41) AXLTRPA1TRPM8MKNK1CHEK1
SCHEMBL15288252 0.78 TRPA1 (0.39) AXLTRPA1TRPM8CHEK1MAOB
SCHEMBL20899454 0.77 NOS1 (0.39) AXLTRPA1TRPM8CHEK1MAOB
SCHEMBL23982931 0.77 TRPA1 (0.38) AXLTRPA1TRPM8MKNK1CHEK1
SCHEMBL13872636 0.77 EGFR (0.42) EGFR
SCHEMBL3560175 0.75 AXL (0.73) AXLTRPA1TRPM8TLR8MKNK1
SCHEMBL21190463 0.73 LPL (0.46) TLR8EGFRKDM4ESMN1; SMN2POLB

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