SCHEMBL26123781

SCHEMBL26123781

O=C(NNc1cnccn1)C1CC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
KMT2A Q03164 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ABL1 P00519 1/20 0.44
GSK3B P49841 5/20 0.44
ACVRL1 P37023 1/20 0.43
MEN1 O00255 1/20 0.43
GSK3A P49840 2/20 0.42
HTT P42858 1/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
PIK3C3 Q8NEB9 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP2C9 P11712 1/20 0.39
GRIN2B Q13224 1/20 0.39
DYRK1A Q13627 1/20 0.39

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
SCHEMBL30546146 1.00 MAPT (0.52) MAPTKMT2ASMN1; SMN2ABL1GSK3B
SCHEMBL4979085 0.84 KMT2A (0.57) MAPTKMT2ASMN1; SMN2ABL1GSK3B
Hydrochloric Acid SCHEMBL27769986 0.83 KMT2A (0.56) MAPTKMT2ASMN1; SMN2ABL1GSK3B
SCHEMBL9131695 0.77 KDM4E (0.46) MAPTKMT2ASMN1; SMN2MEN1HTT
SCHEMBL20189743 0.75 GAA (0.43) KMT2ASMN1; SMN2ABL1HTTALDH1A1
SCHEMBL30448357 0.75 GAA (0.43) KMT2ASMN1; SMN2ABL1HTTALDH1A1
SCHEMBL7955683 0.75 RAB9A (0.45) MAPTKMT2ASMN1; SMN2HTTALDH1A1
SCHEMBL18395352 0.74 GSK3B (0.59) MAPTKMT2ASMN1; SMN2ABL1GSK3B
SCHEMBL10025629 0.71 KMT2A (0.42) MAPTKMT2ASMN1; SMN2HTTALDH1A1
SCHEMBL1366867 0.71 XPO1 (0.43) MAPTKMT2ASMN1; SMN2GSK3BGSK3A

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-2023192989-A2 PHTHALAZINONE COMPOUNDS AS PARP7 INHIBITORS AZKARRA THERAPEUTICS, INC. (US) 2023-10-05 WO disclosed
WO-2023192989-A2 PHTHALAZINONE COMPOUNDS AS PARP7 INHIBITORS AZKARRA THERAPEUTICS, INC. (US) 2023-10-05 WO disclosed