SCHEMBL31736070

SCHEMBL31736070

CC(C)(C)OC(=O)Nc1cc(F)c(Br)cc1F

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 5/20 0.52
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
CYP17A1 P05093 1/20 0.44
RXFP1 Q9HBX9 1/20 0.39
BRAF P15056 1/20 0.39
KCNQ4 P56696 1/20 0.38
KCNQ5 Q9NR82 1/20 0.38
KIF11 P52732 1/20 0.37
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
LCK P06239 1/20 0.36
CNR2 P34972 1/20 0.36
RECQL P46063 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
BRD9 Q9H8M2 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
SCHEMBL14725520 0.87 CYP17A1 (0.48) AAK1CYP17A1RXFP1BRAFKCNQ4
SCHEMBL12519275 0.87 AAK1 (0.44) AAK1NPC1RAB9ACYP17A1RXFP1
SCHEMBL29840249 0.87 AAK1 (0.46) AAK1NPC1RAB9ACYP17A1RXFP1
SCHEMBL24195942 0.85 AAK1 (0.46) AAK1NPC1RAB9ACYP17A1RXFP1
SCHEMBL31662566 0.85 AAK1 (0.48) AAK1CYP17A1MEN1KMT2ALMNA
SCHEMBL19502094 0.85 LMNA (0.44) AAK1NPC1RAB9ACYP17A1RXFP1
SCHEMBL5785487 0.85 AAK1 (0.48) AAK1CYP17A1MEN1KMT2ALMNA
SCHEMBL31376047 0.84 AAK1 (0.45) AAK1NPC1RAB9ACYP17A1RXFP1
SCHEMBL30947444 0.84 CYP17A1 (0.42) AAK1NPC1RAB9ACYP17A1RXFP1
SCHEMBL25159676 0.84 AAK1 (0.46) AAK1NPC1RAB9ACYP17A1RXFP1

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-2025242872-A1 1H-PYRAZOLO[4,3-D]PYRIMIDINE DERIVATIVES Apollo AP45 Limited (GB) 2025-11-27 WO disclosed