SCHEMBL30808288

SCHEMBL30808288

CNc1ncnc2c(N3CCOCC3)csc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.39
LPAR2 Q9HBW0 1/20 0.38
MAPT P10636 3/20 0.38
POLB P06746 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 4/20 0.37
HTT P42858 3/20 0.37
LMNA P02545 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KMT2A Q03164 2/20 0.37
AGTR1 P30556 1/20 0.37
PDE4B Q07343 5/20 0.37
PDE4A P27815 2/20 0.37
PDE4D Q08499 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL21823066 0.78 KDM4E (0.37) MAPK1MAPTNPC1IRAK4KDM4E
SCHEMBL28610278 0.76 AR (0.38) MAPK1MAPTNPC1IRAK4CYP2C9
SCHEMBL21823070 0.76 IRAK4 (0.38) MAPK1MAPTPOLBNPC1IRAK4
SCHEMBL29606803 0.76 NPC1 (0.60) MAPK1MAPTNPC1RAB9AKDM4E
SCHEMBL17602643 0.76 NPC1 (0.60) MAPK1MAPTNPC1RAB9AKDM4E
SCHEMBL30748842 0.74 LRRK2 (0.47) MAPTPOLBNPC1RAB9AKDM4E
SCHEMBL30808040 0.70 NPC1 (0.47) MAPK1LPAR2MAPTNPC1ALDH1A1
SCHEMBL19933208 0.70 NPC1 (0.47) MAPK1LPAR2MAPTNPC1ALDH1A1
SCHEMBL27953637 0.69 PIK3CA (0.38) MAPK1MAPTPOLBIRAK4KDM4E
SCHEMBL5031567 0.67 KDM4E (0.47) MAPK1MAPTNPC1RAB9AKDM4E

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
CN-113039182-B Inhibitors of YAP/TAZ-TEAD interactions and their use in cancer treatment 伊文蒂瓦公司 2024-02-20 CN disclosed