SCHEMBL28905461

SCHEMBL28905461

Nc1cn(-c2cc[c]cc2)nc1C(F)F

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL21997073 0.80 PTGS2 (0.39) KDM4EMEN1NPC1ALDH1A1MAPT
SCHEMBL21069356 0.76 VHL (0.35) KDM4ENPC1ALDH1A1MAPT
SCHEMBL21069305 0.74 KCNJ1 (0.44) MEN1NPC1ALDH1A1MAPTRAB9A
SCHEMBL21070749 0.74 PARP1 (0.34) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL21069438 0.71 PTGS1 (0.42) KDM4EMEN1NPC1ALDH1A1MAPT
SCHEMBL21071184 0.66 MYC (0.39) KDM4EMEN1NPC1ALDH1A1MAPT
SCHEMBL21070176 0.65 MAPK1 (0.43) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL23808019 0.61 RECQL (0.35) KDM4ENPC1ALDH1A1SMN1; SMN2
SCHEMBL27676382 0.60 ESR2 (0.47) MEN1NPC1MAPTRAB9AKMT2A
SCHEMBL533508 0.58 TDO2 (0.40) NPC1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113423427-A IRAK degrading agents and uses thereof 凯麦拉医疗公司 2021-09-21 CN disclosed
CN-112105385-A IRAK degrading agents and uses thereof 凯麦拉医疗公司 2020-12-18 CN disclosed