SCHEMBL30948932

SCHEMBL30948932

c1cc(-c2ccc3c(c2)CNC3)ccn1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 4/20 0.50
PDE3A Q14432 4/20 0.50
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
ASIC3 Q9UHC3 3/20 0.44
QDPR P09417 1/20 0.44
PKN2 Q16513 1/20 0.44
CYP3A4 P08684 2/20 0.41
CLK1 P49759 1/20 0.41
PDPK1 O15530 2/20 0.40
JAK2 O60674 1/20 0.40
AAK1 Q2M2I8 1/20 0.39
CYP11B2 P19099 1/20 0.39
NOTUM Q6P988 1/20 0.38
DYRK1A Q13627 1/20 0.38

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
SCHEMBL1009138 0.85 PKN2 (0.54) ASIC3PKN2
SCHEMBL1010614 0.85 ASIC3 (0.61) PDE3BPDE3AASIC3PKN2
SCHEMBL30833275 0.85 PKN2 (0.54) ASIC3PKN2
SCHEMBL29543554 0.79 TYRO3 (0.50) MAPTASIC3
SCHEMBL8676339 0.79 TYRO3 (0.50) MAPTASIC3
SCHEMBL31070593 0.78 CYP11B1 (0.63) PDE3BPDE3ACYP3A4CYP11B2
SCHEMBL3875636 0.78 DYRK1A (0.49) ASIC3CYP3A4DYRK1A
SCHEMBL29543449 0.78 ASIC3 (0.50) ASIC3
SCHEMBL22638762 0.78 CYP2D6 (0.49) ASIC3CYP3A4CYP11B2
SCHEMBL29386484 0.78 CYP2D6 (0.49) ASIC3CYP3A4CYP11B2

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-114072398-B Compounds that inhibit TDG activity 上海仕谱生物科技有限公司 2024-06-11 CN disclosed