SCHEMBL30201068

SCHEMBL30201068

Cc1c(I)cnn1CC1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.44
LMNA P02545 1/20 0.44
NPBWR1 P48145 1/20 0.40
PDE1A P54750 2/20 0.39
PDE1B Q01064 2/20 0.39
PDE1C Q14123 2/20 0.39
NPSR1 Q6W5P4 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
KAT2B Q92831 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
GRM2 Q14416 2/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
BRD4 O60885 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL14857825 0.84 PDE8B (0.39) PKMLMNABRD4EEDRBBP4
SCHEMBL19222887 0.81 PKM (0.49) PKMLMNANPBWR1PDE1APDE1B
SCHEMBL14857868 0.79 PKM (0.44) PKMLMNANPBWR1PDE1APDE1B
SCHEMBL17459025 0.78 PKM (0.54) PKMLMNANPBWR1PDE1APDE1B
SCHEMBL6156218 0.76 PKM (0.48) PKMLMNANPBWR1PDE1APDE1B
SCHEMBL18256013 0.74 CRHR1 (0.46) PKMLMNANPBWR1PDE1APDE1B
SCHEMBL19170534 0.72 LMNA (0.47) PKMLMNANPBWR1PDE1APDE1B
SCHEMBL17458967 0.72 LMNA (0.44) PKMLMNANPBWR1PDE1APDE1B
SCHEMBL17076641 0.71 PKM (0.43) PKMLMNANPBWR1NPSR1MEN1
SCHEMBL26692283 0.71 LMNA (0.37) PKMLMNANPBWR1PDE1APDE1B

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
EP-4401729-A1 BCL-XL DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2024-07-24 EP disclosed
WO-2023044046-A1 BCL-XL DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-03-23 WO disclosed