SCHEMBL29934142

SCHEMBL29934142

CCN1CCN(Cc2cncc(Br)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
GFER P55789 1/20 0.45
KDM4E B2RXH2 4/20 0.43
MAPT P10636 2/20 0.43
GAA P10253 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 1/20 0.39
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
DUSP3 P51452 1/20 0.38
PTPN5 P54829 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
SCHEMBL23501608 1.00 ALDH1A1 (0.46) ALDH1A1GFERKDM4EMAPTGAA
SCHEMBL112800 0.87 MC4R (0.47) ALDH1A1KDM4EMAPTGAATDP1
SCHEMBL29933818 0.87 MC4R (0.47) ALDH1A1KDM4EMAPTGAATDP1
SCHEMBL17108787 0.84 SMN1; SMN2 (0.50) ALDH1A1KDM4ETDP1DRD2DRD4
SCHEMBL1880665 0.84 SMN1; SMN2 (0.54) ALDH1A1GFERKDM4ETDP1SMN1; SMN2
SCHEMBL1858409 0.83 SMN1; SMN2 (0.57) ALDH1A1GFERKDM4ETDP1SMN1; SMN2
SCHEMBL17108786 0.83 SMN1; SMN2 (0.57) ALDH1A1GFERKDM4ETDP1SMN1; SMN2
SCHEMBL17108785 0.81 ACHE (0.50) ALDH1A1KDM4E
SCHEMBL29934322 0.80 HRH3 (0.47) ALDH1A1KDM4EMAPTSMN1; SMN2HTT
SCHEMBL114033 0.80 HRH3 (0.47) ALDH1A1KDM4EMAPTSMN1; SMN2HTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119371371-A Compounds and compositions as PDGF receptor kinase inhibitors 日本新药株式会社 2025-01-28 CN disclosed
CN-115315421-B Compounds and compositions as PDGF receptor kinase inhibitors 日本新药株式会社 2024-12-03 CN disclosed
CN-115315421-A Compounds and compositions as PDGF receptor kinase inhibitors 日本新药株式会社 2022-11-08 CN disclosed