SCHEMBL27422663

SCHEMBL27422663

COc1ccc(-n2cnc3c(N)ncnc32)cc1Cl

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 10/20 0.64
PI4K2B Q8TCG2 10/20 0.64
PI4K2A Q9BTU6 10/20 0.64
PI4KB Q9UBF8 10/20 0.64
EGFR P00533 1/20 0.53
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PIP4K2A P48426 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
NSD3 Q9BZ95 1/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
XDH P47989 1/20 0.41
PDE5A O76074 1/20 0.41
SLC2A1 P11166 1/20 0.41
SLC2A2 P11168 1/20 0.41
SLC2A3 P11169 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
SCHEMBL11862452 0.88 PI4KB (0.69) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL18292155 0.79 PI4KA (1.00) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL11829935 0.78 PI4KA (0.48) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL30974263 0.77 ADORA2A (0.47) PI4KAPI4K2BPI4K2API4KBMEN1
SCHEMBL27422698 0.77 ADORA2A (0.47) PI4KAPI4K2BPI4K2API4KBMEN1
SCHEMBL11813800 0.76 PI4KA (0.62) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL6354390 0.75 PI4KA (0.69) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL21638051 0.74 PI4KA (0.72) PI4KAPI4K2BPI4K2API4KBEGFR
Hydrochloric Acid SCHEMBL8595785 0.74 PI4KA (0.71) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL3538512 0.73 PI4KA (0.77) PI4KAPI4K2BPI4K2API4KBEGFR

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
WO-2024129780-A1 BENZIMIDAZOLE DERIVATIVES AS GPX4 INHIBITORS SONATA THERAPEUTICS, INC. (US) 2024-06-20 WO disclosed
WO-2024129780-A1 BENZIMIDAZOLE DERIVATIVES AS GPX4 INHIBITORS SONATA THERAPEUTICS, INC. (US) 2024-06-20 WO disclosed