SCHEMBL23744344

SCHEMBL23744344

O=C(Nc1cn(C2CCCCC2)nc1C(F)F)c1cccc(F)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPK1 P28482 1/20 0.47
ADCY1 Q08828 1/20 0.47
MAPT P10636 3/20 0.44
TP53 P04637 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
LMNA P02545 3/20 0.43
KDM4E B2RXH2 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GRM5 P41594 1/20 0.42
HTT P42858 1/20 0.42
KDR P35968 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
HTR2B P41595 1/20 0.41

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
SCHEMBL25162450 0.90 MAPT (0.44) TSHRSMN1; SMN2MAPK1ADCY1MAPT
SCHEMBL23744343 0.88 RAB9A (0.41) TSHRSMN1; SMN2MAPK1MAPTTP53
SCHEMBL25162945 0.79 MEN1 (0.44) SMN1; SMN2MAPK1MAPTNPC1RAB9A
SCHEMBL23744364 0.77 MEN1 (0.52) SMN1; SMN2MAPTLMNAKDM4ENPSR1
SCHEMBL23744362 0.77 POLB (0.43) MAPK1NPC1RAB9AMEN1KMT2A
SCHEMBL25162946 0.77 IRAK4 (0.40) MAPK1NPC1RAB9AMEN1KMT2A
SCHEMBL22849214 0.75 IRAK4 (0.60)
SCHEMBL25162446 0.75 MEN1 (0.47) TSHRADCY1RAB9ALMNAKDM4E
SCHEMBL23744953 0.72 OPRM1 (0.39) KMT2A
SCHEMBL25162416 0.69 IRAK4 (0.43) SMN1; SMN2MAPTNPC1RAB9AKDM4E

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-2021158634-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-08-12 WO disclosed