SCHEMBL30648686

SCHEMBL30648686

O=[N+]([O-])c1c(Cl)ccnc1OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MGMT P16455 7/20 0.54
PIN1 Q13526 3/20 0.54
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
ATM Q13315 1/20 0.49
CNR1 P21554 1/20 0.44
ACHE P22303 1/20 0.44
CNR2 P34972 1/20 0.44
CYP19A1 P11511 2/20 0.44
CYP11B1 P15538 2/20 0.44
CYP11B2 P19099 2/20 0.44
LMNA P02545 1/20 0.41
KCNH2 Q12809 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
SCHEMBL1843397 1.00 MGMT (0.54) MGMTPIN1MEN1KMT2ANPC1
SCHEMBL14027831 0.83 MGMT (0.54) MGMTPIN1MEN1KMT2ANPC1
SCHEMBL3591208 0.83 MGMT (0.54) MGMTPIN1MEN1KMT2ANPC1
SCHEMBL8564287 0.83 MGMT (0.61) MGMTPIN1MEN1KMT2ANPC1
SCHEMBL1840400 0.82 MGMT (0.53) MGMTPIN1MEN1KMT2ANPC1
SCHEMBL6082323 0.81 PIN1 (0.46) MGMTPIN1MEN1KMT2ANPC1
SCHEMBL26640374 0.80 MGMT (0.51) MGMTPIN1MEN1KMT2ANPC1
SCHEMBL3586604 0.80 MGMT (0.51) MGMTPIN1MEN1KMT2ANPC1
SCHEMBL26640090 0.79 MGMT (0.50) MGMTPIN1MEN1KMT2ANPC1
SCHEMBL6082553 0.78 TLR8 (0.44) MGMTPIN1MEN1KMT2ANPC1

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-4522618-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES COMPOUNDS AS HPK1 INHIBITORS Merck Patent GmbH (DE) 2025-03-19 EP disclosed
WO-2023220541-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES COMPOUNDS AS HPK1 INHIBITORS MERCK PATENT GMBH (DE) 2023-11-16 WO disclosed